text1
stringlengths
2
245
text2
stringlengths
3
1.79k
value
float64
0.3
0.5
category
stringclasses
145 values
(-)-5-(3',4'-dihydroxyphenyl)-valerolactone
metabolite of catechins
0.3
D
(-)-5-m-hydroxyphenyl-2-methylmorphan
analgesic agonist-antagonist; rn refers to (-)-isomer; ; do not confuse with phenylmorphan
0.3
D
(-)-6a,7-dehydrofloripavidine
isolated from papaver
0.3
D
(-)-7-N-methyldibromophakellin
phakellin alkaloid from an agelas sp. sponge, collected near wewak, papua new guinea
0.3
D
(-)-7-N-methylmonobromophakellin
phakellin alkaloid from an agelas sp. sponge, collected near wewak, papua new guinea
0.3
D
(-)-7beta-hydroxy-8alpha-methoxydeepoxysarcophytoxide
from the vietnamese soft coral sarcophyton mililatensis
0.3
D
(-)-8-hydroxy-3-(4-hydroxypentyl)-3,4-dihydroisocoumarin
from talaromyces verruculosus
0.3
D
(-)-alpha-methoxy-alpha-(trifluoromethyl)phenylacetyl chloride
acylating agent used to determine enantiomeric purity of amines & alcohols; rn given refers to (-)-isomer
0.3
D
(-)-alpha-pinene synthase
catalyzes the conversion of geranyl diphosphate to pinene and diphosphate
0.3
D
(-)-cermizine B
lycopodium alkaloid
0.3
D
(-)-maalioxide
sesquiterpenoid isolated from the liverwort, plagiochila acanthophylla subsp. japonica
0.3
D
(0.017ferrocene)amylose
a redox polymer consisting of 1 ferrocene residue per 60 glucose units; partial
0.3
D
(1 R,11 alpha)-1,4-epoxy-11-hydroxy-3,4-secolupane-20(30)-ene-3,28-dioic acid
from acanthopanax sessiliflorus fruits
0.3
D
(1 R,11 alpha,22 alpha)-1,4-epoxy-11,22-hydroxy-3,4-secolupane-20(30)-ene-3,28-dioic acid
from acanthopanax sessiliflorus fruits
0.3
D
(1''-pyrene butyl)-2-rhodamine ester
an oxygen dependence probe in mitochondria of living cells
0.3
D
(1''R)-5,4',1''-trihydroxy-6,7-(3'',3''-dimethylchroman)flavone
flavone with antihyperglycemic activity from eysenhardtia platycarpa
0.3
D
(1'-(4-fluorophenyl)(ethylenedioxy))-21-hydroxy-19-norpregn-4-ene-3,20-dione
a potential imaging agent for receptor-positive breast tumors; ; rn refers to the 16ar-isomer
0.3
D
(1'-(4-fluorophenyl)(ethylenedioxy))pregn-4-ene-3,20-dione
; rn refers to (16ar)-isomer
0.3
D
(1'R,5R,6R)-3-(4-amino-1,1-dimethyl-butyl)-6-(1'-hydroxyethyl)oxapenem-3-carboxylate
oxapenem compound which possesses potent beta-lactamase-inhibitory properties
0.3
D
(1'S, 2S)-4-amino-N-(1'-carbamoyl-2'-phenylethyl)-2-(4''-methyl-1''-naphthalenesulfonylamino)butanamide
a somatostatin receptor 4 agonist
0.3
D
(1'S,2'R)-8-(2,3-epoxy-1-hydroxy-3-methylbutyl)-7-methoxycoumarin
from the dried fructus of cnidium monnieri
0.3
D
(1,1'- bi-2-naphthyl)-23-crown-6 incorporating 1,4-benzoquinone
redox-active crown ether
0.3
D
(1,1'- bi-2-naphthyl)-23-crown-6 incorporating 9,10-anthraquinone
redox-active crown ether
0.3
D
(1,1'-biphenyl)-3-yl (2-(5-hydroxy-1H-indol-3-yl)ethyl)carbamate
a fatty acid amide hydrolase (faah) inhibitor
0.3
D
(1,1-cyclobutanedicarboxylato)(2,2'-bipyridine)palladium(II)
covalently modifies dna
0.3
D
(1,1-cyclobutanedicarboxylato)(2,2'-bipyridine)platinum(II)
covalently modifies dna
0.3
D
(1,1-dimethylethoxy)carbonyl-glycyl-delta-phenylalanyl-leucyl-delta-phenylalanyl-N-methylalaninamide
; used for studying helical formation of peptides; contains two alpha, beta-dehydrophenylalanine residues
0.3
D
(1,1-dimethylethoxy)carbonyl-tyrosyl-prolyl-glycyl-phenylalanyl-leucyl-threonine
a delta opioid receptor antagonist; amino acid sequence given in first source
0.3
D
(1,1-dioxido--3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl 4-(((phenylmethoxy)carbonyl)amino)benzoate
tryptase inhibitor
0.3
D
(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl 5-(((phenylmethoxy)carbonyl)amino)pentanoate
tryptase inhibitor
0.3
D
(1,10-phenanthroline)(9,10-phenanthrenequinonediimine)rhodamine(III)
cross-links rna
0.3
D
(1,2,3,9-tetrahydro-3-((5-methyl-1H-imidazol-4-yl)methyl)-9-(3-amino-(N-fluorescien-thiocarbamoyl)-propyl)-4H-carbazol-4-one)
high-affinity antagonist for serotonin 5-ht3 receptor
0.3
D
(1,2,4)triazolo(1,5-a)pyrimidin-7-one
non-toxic (also known as ws-10) that modulates abcb1-mediated multidrug resistance (mdr)
0.3
D
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid
a gaba-c receptor antagonist
0.3
D
(1,2-bis(1,2-benzisoselenazolone-3(2H)-ketone))ethane
has antineoplastic activity
0.3
D
(1,2-bis(2,6-dichloro-4-hydroxyphenyl)ethylenediamine)dichloroplatinum (II)
rn given refers to (sp-4-2)
0.3
D
(1,2-bis(2-hydroxyphenyl)ethylenediamine)dichloroplatinum (II)
rn refers to ((r-(r*,r*))-isomer
0.3
D
(1,2-bis(4-fluorophenyl)ethylenediamine)dichloroplatinum(II)
; rn given is for (sp-4-2)-(r*,r*) isomer
0.3
D
(1,2-bis(6-methoxy-2H-chromen-3-yl)methylene)hydrazine
increases both tgf-1beta induction and reactive species production
0.3
D
(1,2-di(cyclopentadienyl)-1,2-di(3-dimethoxyphenyl)ethanediyl)titanium dichloride
a titanocene with antineoplastic activity
0.3
D
(1,2-di(cyclopentadienyl)-1,2-di(4-N,N-dimethylaminophenyl)ethanediyl)titanium dichloride
a titanocene with antineoplastic activity
0.3
D
(1,2-diaminiocyclohexane)tetrakis(propionato)platinum(IV)
has antineoplastic activity
0.3
D
(1,2-diaminocyclohexane)(5,6-dimethyl-1,10-phenanthroline)platinum(II)
has antineoplastic activity
0.3
D
(1,2-trans)-N3-(4-acetamidobutyl)-1-(3,4-dihydroxyphenyl)-7-hydroxy-N2-(4-hydroxyphenethyl)-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
from the root bark of lycium chinense
0.3
D
(1,3,5-triaminocyclohexane)copper(II)
promotes hydrolysis of peptides
0.3
D
(1,3,7,9-tetramethylxanthine-8-ylidene)silver acetate
has antimicrobial activity
0.3
D
(1,4,7)triazecan-9-ol
forms nickel(ii) and copper(ii) complexes that may serve as potential antineoplastic agents
0.3
D
(1,4,7,10-tetrakis((N-(1H-imidazol-2-yl)carbamoyl)methyl)-1,4,7,10-tetraazacyclododecane)thulium(III)
a paracest contrast agent
0.3
D
(1,4,7-triazacyclodecane)platinum(II)
has antineoplastic activity
0.3
D
(1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene)dichlorozinc(II) polymer
can adopt at least two different conformations
0.3
D
(1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene)dichlorozinc(II) polymer
can adopt at least two different conformations
0.3
D|J
(1,5,9,13-tetrathiacyclohexadecane-3,11-diol)iridium(III) astatide
reagent for labeling biomolecules with astatine
0.3
D
(1,5,9,13-tetrathiacyclohexadecane-3,11-diol)rhodium(III) astatide
reagent for labeling biomolecules with astatine
0.3
D
(1,5-anhydro-7-amino-2,7-dideoxyheptopyranosyl)carboxylate
inhibitor of cmp-kdo synthetase
0.3
D
(1,5-cyclooctadiene)bis((2,5-dimethylphospholano)ethane)rhodium(I)
an asymmetic hydrogenation catalyst
0.3
D
(1,5-dihydroxy-2-oxopyrrolidin-3-yl)phosphonic acid
an enolase inhibitor
0.3
D
(1,8-dimethyl-1,3,6,8,10,13-hexaazacyclotetradecane)nickel(II)
enhances degradation of malachite green by potassium persulfate
0.3
D
(1-(((1-(1-oxo-2-N-((phenylmethoxy)carbonyl)-3-phenylpropyl)pyrrolidin-2-yl)carbonyl)amino)-4-methoxybutyl)-1-boronic acid
a thrombin inhibitor
0.3
D
(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
a cannabinergic agent
0.3
D
(1-((2-aminopyridin-4-yl)methyl)piperidin-4-yl)(4-((methoxyimino)(pyridin-2-yl)methyl)piperidin-1-yl)methanone
a histamine h3 receptor antagonist
0.3
D
(1-((pyren-1-yl)propoxy)-3,5-bis(bis(2-pyridylmethyl)aminomethyl)benzene)zinc(II)
a fluorescent chemosensor for alarmone; binds two ions of zinc; structure in firs t source
0.3
D
(1-(1-((2,4-dioxoimidazolidin-1-ylimino)methyl)-2-phenylethylcarbamoyl)-2-(1H-indol-3-yl)ethylcarbamoyl)-2-(1H-indole)
a proteasome inhibitor with antineoplastic activity
0.3
D
(1-(2'-methylpropoxy)-2-hydroxy-2-methylpropoxy)butane
a metabolite from the marine bacterium vibrio angustum s14
0.3
D
(1-(2-(5-(N,N-dimethylamino)naphthalenesulfonamido)ethyl)-1,4,7,10-tetraazacyclododecane)zinc(II)
putative apoptosis detector
0.3
D
(1-(2-fluoroethyl)piperidin-4-yl)methyl 8-amino-7-chloro-2,3-dihydrobenzo(b)(1,4)dioxine-5-carboxylate
a radiotracer for serotonin 4 receptors
0.3
D
(1-(3-((4-((5-(2-((3-fluorophenyl)amino)-2-oxoethyl)-1,3-thiazol-2-yl)amino)-6-methoxyquinazolin-7-yl)oxy)propyl)piperidin-4-yl)methyl dihydrogen phosphate
prodrug of an aurora a and aurora b kinase inhibitor
0.3
D
(1-(3-aminophenyl)-1H-pyrrol-3-yl)(3,4,5-trimethoxyphenyl)methanone
a tubulin polymerization inhibitor with antineoplastic activity
0.3
D
(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)(4-(methylamino)phenyl)methanone
a ligand of the vesicular acetylcholine transporter
0.3
D
(1-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl)methyl methanesulfonate
a gpr119 agonist
0.3
D
(1-(4-((4-methoxybenzyl)amino)quinazolin-2-yl)piperidin-2-yl)methanol
a pancreatic beta-cell protective agent
0.3
D
(1-(4-(2-(hexahydropyrrolo(3,4-c)pyrrol-2(1H)-yl)-1H-benzimidazol-1-yl)piperidin-1-yl)cyclooctyl)methanol
a nociceptin/orphanin fq receptor agonist
0.3
D
(1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methyl 6-methyl-2-oxo-4-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
has antitubercular activity
0.3
D
(1-(4-chloro-3-nitrobenzenesulfonyl)-1H-indol-3-yl)-methanol
an antineoplastic agent
0.3
D
(1-(4-chlorobenzyl)-N-(2-methoxybenzyl)-1H-pyrazole-3-carboxamide
has anti-hiv activity
0.3
D
(1-(4-dimethylaminobenzyl)piperidin-4-yl)-4((3,3-dimethylbutyl)phenyl)-(3-methylbut-2-enyl)amine
an n-type calcium channel blocker
0.3
D
(1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo(f)indazol-5-yl)-(4-(trifluoromethyl)phenyl)methanol
a glucocorticoid receptor modulator
0.3
D
(1-(4-hydropentyl)indol-3-yl)-(1-naphthyl)methanone
a metabolite of jwh-018
0.3
D
(1-(4-hydroxy-3-isopropyl-benzyl)-3-methyl-1H-indol-5-yloxy)acetic acid
a thyroid hormone receptor beta agonist
0.3
D
(1-(4-toluenesulfonyl)cytosine)zinc(II)
has antineoplastic activity; structure of ligand in first source
0.3
D
(1-(5-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-methylpropyl)carbamic acid 1,1-dimethylethyl ester
pancreatic elastase inhibitor
0.3
D
(1-(5-dimethylaminonaphthalene)sulfonamido)-n-hexanoic acid-beta-N-trimethylammonium ethyl ester
rn given refers to bromide
0.3
D
(1-(5-hydropentyl)indol-3-yl)-(1-naphthyl)methanone
a metabolite of jwh-018
0.3
D
(1-(7-imino-3-propyl-2,3-dihydrothiazolo(4,5-d)pyrimidin-6(7H)-yl)urea
antiparkinson agent
0.3
D
(1-(7-methoxy-2,2-dimethyl-2H-chromen-6-yl)ethyl)-2-methylbutenoate
an antiprotozoal agent; isolated from ageratum conyzoides
0.3
D
(1-(8-(2-fluoroethoxy)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)(4-fluorophenyl)methanone
a pet radiotracer for imaging the vesicular acetylcholine transporter
0.3
D
(1-(N'-(4-hydroxy-4-(2-hydroxyindan-1-ylcarbamoyl)-5-phenylpentyl)-N'-(4-pyridin-4-ylbenzyl)hydrazinocarbonyl)-2,2-dimethylpropyl)carbamic acid methyl ester
an hiv-1 protease inhibitor
0.3
D
(1-(aminomethyl)-3-methylcyclohexyl)acetic acid
binds to alpha2delta subunit of a calcium channel; gabapentine analog
0.3
D
(1-(chloromethyl)-1,2-dihydropyrrolo(3,2-e)indol-3(6H)-yl)(5-fluoro-1H-indol-2-yl)methanone
rendered into a cytotoxic compounds by cyp2w1
0.3
D
(1-(hydroxymethyl)-4-(4-methyl-3-(methylethyl)pentylidene)-3-oxo-2-oxolanyl)methyl 4-methyl-3-(methylethyl)pentanoate
binds protein kinase c
0.3
D
(1-3)-beta-D-glucan phosphate
beta-glucans phosphorylated for solubilization; glucan phosphate is also available
0.3
D
(1-3)glucopentaose peracetate
; rn refers to anomeric alpha-d-glucose
0.3
D
(1-4)-2-amino-2-deoxy-beta-glucopyranuronan
product from oxidation & deacetylation of chitin; rn given refers to (d)-isomer
0.3
D
(1-4)-2-deoxy-2-sulfoamino-beta-D-glucopyranuronan
product from oxidation & deacetylation of chitin
0.3
D
(1-6)-alpha-glucomannan
rn given refers to (d)-isomer; bulk forming agent consisting of vegetable matter. isolated from amorphophallus konjac
0.3
D
(1-6)-mannopyranan sulfate
strongly inhibits hiv-induced cytopathic effects
0.3
D
(1-8-NαC)-zanriorb A1
proapoptotic orbitide from leaves of zanthoxylum riedelianum
0.3
D
(1-O-octadecyl-2-O-(2'-deoxy-2'-aminoglucopyranosyl)glycerol(3))phosphorylcholine
has antineoplastic activity; activates cell-matrix adhesion and migration
0.3
D
(1-O-octadecyl-2-O-(2'-deoxy-2'-dimethylmaleimidoglucopyranosyl)glycerol(3))phosphorylcholine
has antineoplastic activity; activates cell-matrix adhesion and migration
0.3
D
(1-amino-2-propenyl)phosphonic acid
inhibitor of alanine racemase & d-alanylalanine synthetase
0.3
D
(1-aminoethyl)(2-carboxy-1-octyl)phosphinic acid
inhibits d-alanine-d-alanine ligase of e coli
0.3
D