target_chembl_id stringlengths 9 13 | molecule_chembl_id stringlengths 7 13 | canonical_smiles stringlengths 1 331 | sequence stringlengths 93 7.1k | uniprot_id stringlengths 6 10 | standard_value float64 0 561k | active int64 1 1 | heavy_atoms int64 1 100 | split stringclasses 1
value | __index_level_0__ int64 0 894k |
|---|---|---|---|---|---|---|---|---|---|
CHEMBL6152 | CHEMBL3903710 | CN(c1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1)c1cccc(F)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 264 | 1 | 30 | train | 890,943 |
CHEMBL6152 | CHEMBL3906607 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cn2ccnc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 486 | 1 | 27 | train | 890,944 |
CHEMBL6152 | CHEMBL3907154 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 112 | 1 | 29 | train | 890,945 |
CHEMBL6152 | CHEMBL3907207 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(C(F)(F)F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 31 | 1 | 32 | train | 890,946 |
CHEMBL6152 | CHEMBL3907691 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccccc1Cc1ccccc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 240 | 1 | 28 | train | 890,947 |
CHEMBL6152 | CHEMBL3908911 | O=C(NCCc1c[nH]c2ccc(N3CCOCC3)cc12)c1ccc(Cc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 166 | 1 | 34 | train | 890,948 |
CHEMBL6152 | CHEMBL3908965 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 154 | 1 | 28 | train | 890,949 |
CHEMBL6152 | CHEMBL3910404 | Cc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 370 | 1 | 29 | train | 890,950 |
CHEMBL6152 | CHEMBL3911145 | O=C(NCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 277 | 1 | 28 | train | 890,951 |
CHEMBL6152 | CHEMBL3911727 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cc(F)cc(F)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 174 | 1 | 30 | train | 890,952 |
CHEMBL6152 | CHEMBL3912400 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccs2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 81 | 1 | 27 | train | 890,953 |
CHEMBL6152 | CHEMBL3912717 | Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)c1ccc(Cc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 535 | 1 | 30 | train | 890,954 |
CHEMBL6152 | CHEMBL3914948 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccsc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 18 | 1 | 27 | train | 890,955 |
CHEMBL6152 | CHEMBL3916176 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccc(C(F)(F)F)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 55 | 1 | 32 | train | 890,956 |
CHEMBL6152 | CHEMBL3916681 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2F)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 31 | 1 | 29 | train | 890,957 |
CHEMBL6152 | CHEMBL3917768 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cc(F)cc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 111 | 1 | 30 | train | 890,958 |
CHEMBL6152 | CHEMBL3918360 | N#Cc1cccc(Nc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 122 | 1 | 30 | train | 890,959 |
CHEMBL6152 | CHEMBL3919598 | COc1cccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 125 | 1 | 30 | train | 890,960 |
CHEMBL6152 | CHEMBL3921153 | COc1cccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1F | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 148 | 1 | 31 | train | 890,961 |
CHEMBL6152 | CHEMBL3923979 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccoc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 56 | 1 | 27 | train | 890,962 |
CHEMBL6152 | CHEMBL3925048 | N#Cc1ccccc1Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 116 | 1 | 30 | train | 890,963 |
CHEMBL6152 | CHEMBL3925683 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2Cl)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 65 | 1 | 29 | train | 890,964 |
CHEMBL6152 | CHEMBL3926297 | O=C(NCCc1c[nH]c2ncc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 1,048 | 1 | 29 | train | 890,965 |
CHEMBL6152 | CHEMBL3927941 | N#Cc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 68 | 1 | 30 | train | 890,966 |
CHEMBL6152 | CHEMBL3931074 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cn2cccn2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 173 | 1 | 27 | train | 890,967 |
CHEMBL6152 | CHEMBL3933818 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccc(F)cc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 86 | 1 | 29 | train | 890,968 |
CHEMBL6152 | CHEMBL3934411 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCc2ccccc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 103 | 1 | 30 | train | 890,969 |
CHEMBL6152 | CHEMBL3935190 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2F)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 139 | 1 | 30 | train | 890,970 |
CHEMBL6152 | CHEMBL3935323 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccsc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 29 | 1 | 27 | train | 890,971 |
CHEMBL6152 | CHEMBL3936586 | O=C(NCCc1c[nH]c2ccc(F)cc12)c1cccc(Cc2cccc(F)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 112 | 1 | 29 | train | 890,972 |
CHEMBL6152 | CHEMBL3940543 | Cc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 62 | 1 | 29 | train | 890,973 |
CHEMBL6152 | CHEMBL3942516 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccc(Cl)cc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 22 | 1 | 29 | train | 890,974 |
CHEMBL6152 | CHEMBL3942591 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Oc2ccccc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 241 | 1 | 28 | train | 890,975 |
CHEMBL6152 | CHEMBL3945963 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cn1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 26 | 1 | 29 | train | 890,976 |
CHEMBL6152 | CHEMBL3947027 | COc1ccccc1Cc1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 96 | 1 | 30 | train | 890,977 |
CHEMBL6152 | CHEMBL3947393 | COc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 147 | 1 | 30 | train | 890,978 |
CHEMBL6152 | CHEMBL3948723 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2ccccc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 94 | 1 | 30 | train | 890,979 |
CHEMBL6152 | CHEMBL3949314 | Cc1cccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 40 | 1 | 29 | train | 890,980 |
CHEMBL6152 | CHEMBL3949484 | CN(c1ccccc1)c1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 470 | 1 | 29 | train | 890,981 |
CHEMBL6152 | CHEMBL3950141 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccco2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 133 | 1 | 27 | train | 890,982 |
CHEMBL6152 | CHEMBL3950534 | N#Cc1cccc(Cc2ccc(C(=O)NCc3c[nH]c4ccc(Cl)cc34)cc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 132 | 1 | 29 | train | 890,983 |
CHEMBL6152 | CHEMBL3950766 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccncc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 151 | 1 | 28 | train | 890,984 |
CHEMBL6152 | CHEMBL3953030 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)c(F)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 44 | 1 | 30 | train | 890,985 |
CHEMBL6152 | CHEMBL3957251 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNCc2cccs2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 159 | 1 | 29 | train | 890,986 |
CHEMBL6152 | CHEMBL3959578 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccnc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 117 | 1 | 28 | train | 890,987 |
CHEMBL6152 | CHEMBL3960518 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccoc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 23 | 1 | 27 | train | 890,988 |
CHEMBL6152 | CHEMBL3961796 | N#Cc1ccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 32 | 1 | 30 | train | 890,989 |
CHEMBL6152 | CHEMBL3962345 | COc1cccc(Oc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 98 | 1 | 30 | train | 890,990 |
CHEMBL6152 | CHEMBL3963240 | CN(c1ccccc1)c1cccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 270 | 1 | 29 | train | 890,991 |
CHEMBL6152 | CHEMBL3965930 | Cn1cc(CCNC(=O)c2ccc(Cc3cccc(F)c3)cc2)c2cc(Cl)ccc21 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 581 | 1 | 30 | train | 890,992 |
CHEMBL6152 | CHEMBL3966737 | Cc1ccc(Cc2ccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 31 | 1 | 29 | train | 890,993 |
CHEMBL6152 | CHEMBL3968863 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccco2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 17 | 1 | 27 | train | 890,994 |
CHEMBL6152 | CHEMBL3969389 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 22 | 1 | 32 | train | 890,995 |
CHEMBL6152 | CHEMBL3970056 | COc1ccccc1Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 84 | 1 | 30 | train | 890,996 |
CHEMBL6152 | CHEMBL3972928 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCC2CCCCC2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 168 | 1 | 30 | train | 890,997 |
CHEMBL6152 | CHEMBL3973272 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccccc2F)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 42 | 1 | 29 | train | 890,998 |
CHEMBL6152 | CHEMBL3977750 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Nc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 82 | 1 | 29 | train | 890,999 |
CHEMBL6152 | CHEMBL3977789 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2ccccc2C(F)(F)F)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 80 | 1 | 32 | train | 891,000 |
CHEMBL6152 | CHEMBL3977892 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(CNC2CCCCC2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 724 | 1 | 29 | train | 891,001 |
CHEMBL6152 | CHEMBL3978222 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccc(F)cc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 20 | 1 | 29 | train | 891,002 |
CHEMBL6152 | CHEMBL3978416 | Cc1cccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 60 | 1 | 29 | train | 891,003 |
CHEMBL6152 | CHEMBL3978672 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cc2cccc(F)c2)cc1F | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 27 | 1 | 30 | train | 891,004 |
CHEMBL6152 | CHEMBL3979873 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCc2cccs2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 83 | 1 | 29 | train | 891,005 |
CHEMBL6152 | CHEMBL3980090 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccs2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 30 | 1 | 27 | train | 891,006 |
CHEMBL6152 | CHEMBL3980307 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Oc2ccccc2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 293 | 1 | 28 | train | 891,007 |
CHEMBL6152 | CHEMBL3981695 | COc1cccc(Cc2cccc(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)c2)c1F | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 386 | 1 | 31 | train | 891,008 |
CHEMBL6152 | CHEMBL398231 | O=S(=O)(O)c1cccc2c(-c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)ccc(Nc3ccccc3)c12 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 8,600 | 1 | 42 | train | 891,009 |
CHEMBL6152 | CHEMBL3982341 | N#Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cc4cccc(F)c4)cc3)c2c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 75 | 1 | 30 | train | 891,010 |
CHEMBL6152 | CHEMBL3985793 | O=C(NCCc1c[nH]c2ccc(C(F)(F)F)cc12)c1ccc(Cc2cccc(F)c2)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 320 | 1 | 32 | train | 891,011 |
CHEMBL6152 | CHEMBL3986437 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2ccc(Cl)cc2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 50 | 1 | 29 | train | 891,012 |
CHEMBL6152 | CHEMBL3986784 | O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cc2cccc(F)c2)n1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 109 | 1 | 29 | train | 891,013 |
CHEMBL6152 | CHEMBL404191 | CCN(CC)c1ccc2c(c1)S/C(=C\c1sc3ccccc3[n+]1C)N2CC.[I-] | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 1,780 | 1 | 28 | train | 891,014 |
CHEMBL6152 | CHEMBL4075833 | O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(O)c(O)c2)cc1)c1ccc(O)c(O)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 640 | 1 | 30 | train | 891,015 |
CHEMBL6152 | CHEMBL4173394 | CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.[Na+] | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 5,400 | 1 | 60 | train | 891,016 |
CHEMBL6152 | CHEMBL4279842 | CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3)cc2)cc1.[Na+] | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 322,000 | 1 | 58 | train | 891,017 |
CHEMBL6152 | CHEMBL47386 | Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 6,590 | 1 | 22 | train | 891,018 |
CHEMBL6152 | CHEMBL4748063 | Brc1cccc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 95,095 | 1 | 21 | train | 891,019 |
CHEMBL6152 | CHEMBL493 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 24,700 | 1 | 43 | train | 891,020 |
CHEMBL6152 | CHEMBL50 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 20,000 | 1 | 22 | train | 891,021 |
CHEMBL6152 | CHEMBL501547 | Oc1ccc(Cc2cc(O)c(O)cc2Br)cc1O | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 2,000 | 1 | 18 | train | 891,022 |
CHEMBL6152 | CHEMBL504937 | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 7,300 | 1 | 42 | train | 891,023 |
CHEMBL6152 | CHEMBL507337 | COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 4,500 | 1 | 49 | train | 891,024 |
CHEMBL6152 | CHEMBL5095072 | CCCC[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc(N2CCN(C)CC2)s1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 700 | 1 | 30 | train | 891,025 |
CHEMBL6152 | CHEMBL511367 | Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-] | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 10,300 | 1 | 22 | train | 891,026 |
CHEMBL6152 | CHEMBL52 | CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 215 | 1 | 22 | train | 891,027 |
CHEMBL6152 | CHEMBL531 | CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 7,900 | 1 | 22 | train | 891,028 |
CHEMBL6152 | CHEMBL55934 | O=C1C=CC(=O)c2ccccc21 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 15,000 | 1 | 12 | train | 891,029 |
CHEMBL6152 | CHEMBL57267 | Cc1ccc2c(c1)sc(-c1ccc(N(C)C)cc1)[n+]2C | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 15,200 | 1 | 20 | train | 891,030 |
CHEMBL6152 | CHEMBL583912 | Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 15,350 | 1 | 21 | train | 891,031 |
CHEMBL6152 | CHEMBL59 | NCCc1ccc(O)c(O)c1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 3,815 | 1 | 11 | train | 891,032 |
CHEMBL6152 | CHEMBL590 | CC1=CC(=O)c2ccccc2C1=O | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 15,000 | 1 | 13 | train | 891,033 |
CHEMBL6152 | CHEMBL590878 | Oc1cc(O)c2cc(O)c(-c3cc(O)c(O)c(O)c3)[o+]c2c1.[Cl-] | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 6,500 | 1 | 23 | train | 891,034 |
CHEMBL6152 | CHEMBL66953 | O=c1c(O)cccc2cc(O)c(O)c(O)c12 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 12,900 | 1 | 16 | train | 891,035 |
CHEMBL6152 | CHEMBL81379 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 190 | 1 | 21 | train | 891,036 |
CHEMBL6152 | CHEMBL8260 | O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 8,200 | 1 | 20 | train | 891,037 |
CHEMBL6152 | CHEMBL828 | c1ccc2c(c1)Nc1ccccc1S2 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 26,000 | 1 | 14 | train | 891,038 |
CHEMBL6152 | CHEMBL86921 | CN(C)c1ccc(/C=C2\C(=O)N(C)c3ccccc32)cc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 507.6 | 1 | 21 | train | 891,039 |
CHEMBL6152 | CHEMBL972 | C#CCN(C)[C@H](C)Cc1ccccc1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 270 | 1 | 14 | train | 891,040 |
CHEMBL6152 | CHEMBL986 | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 | MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA | P37840 | 190 | 1 | 21 | train | 891,041 |
CHEMBL6167 | CHEMBL1091644 | C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1 | MKRSEKPEGYRQMRPKTFPASNYTVSSRQMLQEIRESLRNLSKPSDAAKAEHNMSKMSTEDPRQVRNPPKFGTHHKALQEIRNSLLPFANETNSSRSTSEVNPQMLQDLQAAGFDEDMVIQALQKTNNRSIEAAIEFISKMSYQDPRREQMAAAAARPINASMKPGNVQQSVNRKQSWKGSKESLVPQRHGPPLGESVAYHSESPNSQTDVGRPLSGSGISAFVQAHPSNGQRVNPPPPPQVRSVTPPPPPRGQTPPPRGTTPPPPSWEPNSQTKRYSGNMEYVISRISPVPPGAWQEGYPPPPLNTSPMNPPNQGQRGISSVPVGRQPIIMQSSSKFNFPSGRPGMQNGTGQTDFMIHQNVVPAGTVNRQPPPPYPLTAANGQSPSALQTGGSAAPSSYTNGSIPQSMMVPNRNSHNMELYNISVPGLQTNWPQSSSAPAQSSPSSGHEIPTWQPNIPVRSNSFNNPLGNRASHSANSQPSATTVTAITPAPIQQPVKSMRVLKPELQTALAPTHPSWIPQPIQTVQPSPFPEGTASNVTVMPPVAEAPNYQGPPPPYPKHLLHQNPSVPPYESISKPSKEDQPSLPKEDESEKSYENVDSGDKEKKQITTSPITVRKNKKDEERRESRIQSYSPQAFKFFMEQHVENVLKSHQQRLHRKKQLENEMMRVGLSQDAQDQMRKMLCQKESNYIRLKRAKMDKSMFVKIKTLGIGAFGEVCLARKVDTKALYATKTLRKKDVLLRNQVAHVKAERDILAEADNEWVVRLYYSFQDKDNLYFVMDYIPGGDMMSLLIRMGIFPESLARFYIAELTCAVESVHKMGFIHRDIKPDNILIDRDGHIKLTDFGLCTGFRWTHDSKYYQSGDHPRQDSMDFSNEWGDPSSCRCGDRLKPLERRAARQHQRCLAHSLVGTPNYIAPEVLLRTGYTQLCDWWSVGVILFEMLVGQPPFLAQTPLETQMKVINWQTSLHIPPQAKLSPEASDLIIKLCRGPEDRLGKNGADEIKAHPFFKTIDFSSDLRQQSASYIPKITHPTDTSNFDPVDPDKLWSDDNEEENVNDTLNGWYKNGKHPEHAFYEFTFRRFFDDNGYPYNYPKPIEYEYINSQGSEQQSDEDDQNTGSEIKNRDLVYV | O95835 | 195 | 1 | 32 | train | 892,492 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.