Compile Data Set for Download or QSAR
Report error Found 56 Enz. Inhib. hit(s) with all data for entry = 50040832
TargetGrowth factor receptor-bound protein 2(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50139762([(16R,20S)-18-((S)-Carbamoylmethyl)-14-(5-methyl-i...)
Affinity DataKd:  0.0750nMAssay Description:Binding affinity to SH2 domain of GRB2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400807(CHEMBL2204324)
Affinity DataKi:  0.0900nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetRenin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400811(CHEMBL2204329)
Affinity DataIC50: 0.290nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50066331((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...)
Affinity DataKi:  0.310nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400806(CHEMBL2204325)
Affinity DataKi:  0.400nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50331669((6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50131463((6S,12R)-25-Chloro-11-cyclohexyl-21-oxa-3,9,12,18-...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50131468((S)-24-Chloro-11-(R)-cyclohexyl-20-oxa-3,9,12,17-t...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetNeprilysin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400808(CHEMBL2204326)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400801(CHEMBL215803)
Affinity DataIC50: 1nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50359261(CHEMBL1923617)
Affinity DataKi:  1nMAssay Description:Agonist activity at ghrelin receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400801(CHEMBL215803)
Affinity DataIC50: 1nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400801(CHEMBL215803)
Affinity DataIC50: 1nMAssay Description:Inhibition of CDK6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400801(CHEMBL215803)
Affinity DataIC50: 1nMAssay Description:Inhibition of CDK4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetRenin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400813(CHEMBL2204327)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400805(CHEMBL2204316)
Affinity DataIC50: 1.60nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetDnaJ homolog subfamily A member 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50101929(3-oxo-18-oxa-2,5,9,11-tetraazahexacyclo[17.6.2.22,...)
Affinity DataEC50:  2nMAssay Description:Inhibition of HDJ2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetNeprilysin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50056251((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Affinity DataIC50: 3nMAssay Description:Inhibition of neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50056258((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Affinity DataIC50: 4nMAssay Description:Inhibition of ACEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50359282(CHEMBL1923609)
Affinity DataKi:  6nMAssay Description:Agonist activity at ghrelin receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetNeprilysin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50056258((3R,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....)
Affinity DataIC50: 8nMAssay Description:Inhibition of neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50035696(AMD-3100 | CHEMBL18442 | 11-{4-[4,8, 11-1,4,8,11te...)
Affinity DataIC50: 12nMAssay Description:Antagonist activity at CXCR4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDnaJ homolog subfamily A member 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50139187(4-(2-cyclohexylethyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Affinity DataEC50:  12nMAssay Description:Inhibition of HDJ2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50270276(Pyridin-2-ylmethyl-[4-(1,4,8,11tetraaza-cyclotetra...)
Affinity DataIC50: 12nMAssay Description:Antagonist activity at CXCR4More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50359261(CHEMBL1923617)
Affinity DataEC50:  14nMAssay Description:Agonist activity at ghrelin receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400802(CHEMBL1235529)
Affinity DataIC50: 20nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 27nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50359256(ULIMORELIN | CHEMBL1923502)
Affinity DataEC50:  27nMAssay Description:Agonist activity at ghrelin receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400804(CHEMBL2203629)
Affinity DataIC50: 27nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400802(CHEMBL1235529)
Affinity DataIC50: 40nMAssay Description:Inhibition of VEGFR2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetRenin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400812(CHEMBL2204328)
Affinity DataIC50: 56nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50359255(CHEMBL1923501)
Affinity DataEC50:  68nMAssay Description:Agonist activity at ghrelin receptor by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 82nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400803(CHEMBL2203628)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400803(CHEMBL2203628)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400799(CHEMBL2203623)
Affinity DataKi:  100nMAssay Description:Agonist activity at ghrelin receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400802(CHEMBL1235529)
Affinity DataIC50: 140nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRas-related protein Rap-1A(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50139187(4-(2-cyclohexylethyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Affinity DataEC50:  140nMAssay Description:Inhibition of Rap1aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50118723(N-[14-Benzyl-18-(3-guanidino-propyl)-11-(4-hydroxy...)
Affinity DataKi:  180nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth hormone secretagogue receptor type 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400799(CHEMBL2203623)
Affinity DataIC50: 500nMAssay Description:Antagonist activity at ghrelin receptor assessed as inhibition of ghrelin-induced Ca2+ release by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetRenin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50003187(CHEMBL92538 | [1-(4-Cyclohexylmethyl-3-hydroxy-2,6...)
Affinity DataIC50: 590nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGrowth factor receptor-bound protein 2(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50139762([(16R,20S)-18-((S)-Carbamoylmethyl)-14-(5-methyl-i...)
Affinity DataIC50: 630nMAssay Description:Inhibition of SH2 domain of GRB2 in human MDA-MB-453 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400797(CHEMBL2203622)
Affinity DataIC50: 850nMAssay Description:Antagonist activity at adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50139187(4-(2-cyclohexylethyl)-23-oxo-8-oxa-1,15,17,21-tetr...)
Affinity DataEC50:  1.07E+3nMAssay Description:Inhibition of Ki-RasMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetD(1A) dopamine receptor(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400797(CHEMBL2203622)
Affinity DataIC50: 1.10E+3nMAssay Description:Antagonist activity at dopamine D1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM15799(CHEMBL81671 | tert-butyl N-[(1S)-1-{[(1S)-1-{[(2S,...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of BACE1 by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetRenin(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400810(CHEMBL2204330)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHigh affinity choline transporter 1(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400797(CHEMBL2203622)
Affinity DataIC50: 3.20E+3nMAssay Description:Antagonist activity at CHT1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHigh affinity nerve growth factor receptor(Human)
Universite£

Curated by ChEMBL
LigandPNGBDBM50400798(CHEMBL336015)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of TrkA assessed as inhibition of mAb5C3 bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSonic hedgehog protein(Mouse)
Universite£

Curated by ChEMBL
LigandPNGBDBM50249181(N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-pheny...)
Affinity DataEC50:  4.00E+3nMAssay Description:Inhibition of sonic hedgehog pathway in mouse NIH-3T3 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
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