BDBM50130725 3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phenyl)-pyrrole-2,5-dione::3-(3-chloro-4-hydroxyphenylamino)-4-(2-nitrophenyl)-1H-pyrrole-2,5-dione::CHEMBL322970::SB-415286::SB415286::cid_4210951

SMILES Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)cc1Cl

InChI Key InChIKey=PQCXVIPXISBFPN-UHFFFAOYSA-N

Data  1 KI  12 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50130725   

TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataKi:  24nMAssay Description:Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase/endoribonuclease IRE1 [547-977](Homo sapiens (Human))
University Of Washington

LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  1.30E+3nMpH: 7.5Assay Description:Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  78nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Novo Nordisk

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  380nMAssay Description:Inhibition of Cyclin-dependent kinase 2-cyclin AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  380nMAssay Description:Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at 100 uM ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  104nMAssay Description:Inhibition of recombinant GSK3-betaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  34nMAssay Description:Inhibition of GSK-3beta (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  90nMAssay Description:Inhibition of GSK3-beta by luminescent assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  900nMAssay Description:Inhibition of CDK1/cyclinBMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
The Rockefeller University

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  78nMAssay Description:Inhibition of GSK3alphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  50nMAssay Description:Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  54nMAssay Description:Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect cells using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate by ADP-Glo kin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataEC50:  239nMAssay Description:Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50130725(3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...)
Affinity DataIC50:  77nMAssay Description:Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed