Compile Data Set for Download or QSAR
Report error Found 41 Enz. Inhib. hit(s) with all data for entry = 50026069
TargetBcl2-associated agonist of cell death(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBcl2-associated agonist of cell death(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50060993(4'-Fluoro-biphenyl-4-carboxylic acid | 4'-FLUORO-1...)
Affinity DataKd:  4.00E+5nMAssay Description:Binding affinity to BH3 binding groove of BclXLMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM19441(Evista | CHEMBL81 | Keoxifene | Raloxifene, 6 | RA...)
Affinity DataEC50:  22nMAssay Description:Activity against estrogen receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Bovine)
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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270609(CHEMBL486921 | HSP90 Inhibitor, 3 | (3E)-3-[(pheny...)
Affinity DataKd:  1.50E+5nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Bovine)
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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50266103((E)-3-(2-(2-(2-amino-6-methylpyrimidin-4-yl)ethyny...)
Affinity DataKd:  4.00E+3nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEstrogen receptor(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270588(HSP90 Inhibitor, 2 | CHEMBL504181 | 4-METHYL-6-(TR...)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-1(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetMethionine aminopeptidase 2(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM17462(CHEMBL194853 | 5-(3-methylphenyl)-1H-1,2,3-triazol...)
Affinity DataIC50: 18nMAssay Description:Inhibition of MetAp2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM11558(CHEMBL381806 | (3S)-2-[(3R)-3-amino-4-(2-fluorophe...)
Affinity DataIC50: 23nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPhenylethanolamine N-methyltransferase(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAurora kinase A(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCaspase-1(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAurora kinase A(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBcl2-associated agonist of cell death(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(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
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProthrombin(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12586(CHEMBL379692 | (2R,3S)-3-amino-2-hydroxy-N-(4-meth...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetAurora kinase A(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50166571(4-amino-N-(pyrimidin-2-yl)benzenesulfonamide | 2-s...)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of aurora kinase AMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM11555((1-phenylcyclopentyl)methanamine | CHEMBL382127 | ...)
Affinity DataIC50: 4.00E+4nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRAC-alpha serine/threonine-protein kinase(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetRAC-alpha serine/threonine-protein kinase(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM16215(CHEMBL390066 | JMC514968 Compound 35 | 4-phenyl-1H...)
Affinity DataIC50: 1.35E+5nMAssay Description:Inhibition of protein kinase BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12582(CHEMBL440394 | 1-(4-chlorophenyl)-1H-1,2,3,4-tetra...)
Affinity DataIC50: 3.30E+5nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetProthrombin(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM12582(CHEMBL440394 | 1-(4-chlorophenyl)-1H-1,2,3,4-tetra...)
Affinity DataIC50: 3.30E+5nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM24626(CHEMBL191632 | 6-chloropyrazin-2-amine | 6-chlorop...)
Affinity DataIC50: 3.50E+5nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetUrokinase-type plasminogen activator(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50135883((R)-1-(2,6-dimethylphenoxy)propan-2-amine | (2R)-1...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of uPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DataIC50: 2.00E+6nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBcl2-associated agonist of cell death(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270877(ABT-263 | (R)-4-(4-((2-(4-chlorophenyl)-5,5-dimeth...)
Affinity DataKi: <0.5nMAssay Description:Binding affinity to BH3 binding groove of BclXLMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50221972(6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-...)
Affinity DataKi:  4.30nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein phosphatase beta(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50178428(2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE | (...)
Affinity DataKi:  2.00E+3nMAssay Description:Binding affinity to DPP4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetQueuine tRNA-ribosyltransferase catalytic subunit 1(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50240341(2-Amino-quinazolin-4-ol | 2-AMINOQUINAZOLIN-4(3H)-...)
Affinity DataKi:  2.10E+3nMAssay Description:Inhibition of TGTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetQueuine tRNA-ribosyltransferase catalytic subunit 1(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 Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50226527(N-[3-(aminomethyl)benzyl]ethanimidamide | N-(3-Ami...)
Affinity DataKi:  7.30E+3nMAssay Description:Binding affinity nNOSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed