Compile Data Set for Download or QSAR
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Found 41 Enz. Inhib. hit(s) with all data for entry = 50026069
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270877((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...)
Affinity DataKi: <0.5nMAssay Description:Binding affinity to BH3 binding groove of BclXLMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50221972((2S,3S)-2-(4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)p...)
Affinity DataKi:  4.30nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein phosphatase beta(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270587(5-(3-Cyclohexyl-4'-fluoro-2'-trifluoromethyl-biphe...)
Affinity DataKi:  220nMAssay Description:Inhibition of PtpBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50178428((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...)
Affinity DataKi:  2.00E+3nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
TargetQueuine tRNA-ribosyltransferase catalytic subunit 1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50240341(2-AMINOQUINAZOLIN-4(3H)-ONE | 2-Amino-quinazolin-4...)
Affinity DataKi:  2.10E+3nMAssay Description:Inhibition of TGTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetQueuine tRNA-ribosyltransferase catalytic subunit 1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50271082(4-(4-methoxyphenethyl)-6-amino-3H-imidazo[4,5-g]qu...)
Affinity DataKi:  3.70E+3nMAssay Description:Inhibition of TGTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50226527(CHEMBL107251 | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDIN...)
Affinity DataKi:  7.30E+3nMAssay Description:Binding affinity nNOSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM13014(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Affinity DataIC50:  3nMAssay Description:Inhibition of PNMTMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12589((2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)...)
Affinity DataIC50:  4nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50176510((S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido...)
Affinity DataIC50:  5nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
TargetMethionine aminopeptidase 2(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM17462(1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...)
Affinity DataIC50:  18nMAssay Description:Inhibition of MetAp2More data for this Ligand-Target Pair
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM11558((3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1...)
Affinity DataIC50:  23nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
TargetPhenylethanolamine N-methyltransferase(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50240934(3-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,...)
Affinity DataIC50:  28nMAssay Description:Inhibition of PNMTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50231528(4-(2-aminoethoxy)-N-(3-chloro-2-ethoxy-5-(piperidi...)
Affinity DataIC50:  72nMAssay Description:Inhibition of uPAMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270611(4-(6,7-Dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-pip...)
Affinity DataIC50:  94nMAssay Description:Inhibition of aurora kinase AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50176515((S)-4-oxo-3-(6-(4-(quinoxalin-2-ylamino)benzamido)...)
Affinity DataIC50:  190nMAssay Description:Inhibition of caspase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50169047((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of COX1More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270610(4-chloro-6,7-dimethoxy-9H-pyrimido[4,5-b]indole | ...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of aurora kinase AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270876(3-((E)-2-Biphenyl-3-yl-vinyl)-4'-fluoro-biphenyl-4...)
Affinity DataIC50:  6.90E+3nMAssay Description:Binding affinity to BH3 binding groove of BclXLMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM24631(4-[(6-chloropyrazin-2-yl)amino]benzene-1-sulfonami...)
Affinity DataIC50:  9.10E+3nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12586((2R,3S)-3-amino-2-hydroxy-N-(4-methoxy-2,3,6-trime...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50166571(2-sulfanilamidopyrimidine | 2-sulfanilylaminopyrim...)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of aurora kinase AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM11555((1-phenylcyclopentyl)methanamine | 1-METHYLAMINE-1...)
Affinity DataIC50:  4.00E+4nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM16211(5-methyl-4-phenyl-1H-pyrazole | CHEMBL228114 | pyr...)
Affinity DataIC50:  8.00E+4nMAssay Description:Inhibition of protein kinase BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM16215(4-phenyl-1H-pyrazole | CHEMBL390066 | JMC514968 Co...)
Affinity DataIC50:  1.35E+5nMAssay Description:Inhibition of protein kinase BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50092659(2-AMINO-5-HYDROXY-BENZIMIDAZOLE | 2-Amino-3H-benzo...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of uPAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetProthrombin(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12582(1-(4-chlorophenyl)-1H-1,2,3,4-tetrazole | 1-(4-chl...)
Affinity DataIC50:  3.30E+5nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12582(1-(4-chlorophenyl)-1H-1,2,3,4-tetrazole | 1-(4-chl...)
Affinity DataIC50:  3.30E+5nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM24626(6-chloropyrazin-2-amine | 6-chloropyrazin-2-amine,...)
Affinity DataIC50:  3.50E+5nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50135883((2R)-1-(2,6-dimethylphenoxy)propan-2-amine | (R)-1...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of uPAMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM14320(1-amino-isoquinoline | CHEMBL62083 | Fragment 17 |...)
Affinity DataIC50:  2.00E+6nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM20628(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Affinity DataEC50:  1.40E+3nMAssay Description:Activity against estrogen receptor alphaMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270609((3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H...)
Affinity DataKd:  1.50E+5nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50266103((E)-3-(2-((2-amino-6-methylpyrimidin-4-yl)ethynyl)...)
Affinity DataKd:  4.00E+3nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270588(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Bos taurus)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50271035((S)-4-(1-(1-(3-aza-bicyclo[3.2.2]nonan-3-yl)-3-met...)
Affinity DataKd:  0.200nMAssay Description:Inhibition of bovine carbonic anhydrase2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Bos taurus)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50236140(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)
Affinity DataKd:  37nMAssay Description:Inhibition of bovine carbonic anhydrase2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270875(5,6,7,8-tetrahydro-1-naphthol | CHEMBL449132)
Affinity DataKd:  2.00E+6nMAssay Description:Binding affinity to BH3 binding groove of BclXLMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Affinity DataEC50:  22nMAssay Description:Activity against estrogen receptor alphaMore data for this Ligand-Target Pair
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50060993(4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID | 4'-Flu...)
Affinity DataKd:  4.00E+5nMAssay Description:Binding affinity to BH3 binding groove of BclXLMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM20628(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Affinity DataEC50:  1.40E+3nMAssay Description:Activity against estrogen receptor alphaMore data for this Ligand-Target Pair