BindingDB PrimarySearch

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 10 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50130725
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/lactate dehydrogenase coupled spectrophotometric assay				Bioorg Med Chem Lett 20: 1661-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.072 BindingDB Entry DOI: 10.7270/Q2TX3G9B
Vertex Pharmaceuticals Inc Curated by ChEMBL					More data for this Ligand-Target Pair
IRE1α (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Washington					Assay Description Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...				ACS Chem Biol 11: 2195-205 (2016) Article DOI: 10.1021/acschembio.5b00940 BindingDB Entry DOI: 10.7270/Q2ZK5FGQ
University of Washington					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Road Curated by ChEMBL					Assay Description Inhibition of human GSK3beta				Eur J Med Chem 44: 2361-71 (2009) Article DOI: 10.1016/j.ejmech.2008.08.012 BindingDB Entry DOI: 10.7270/Q2057FZX
Sterling Road Curated by ChEMBL					More data for this Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2-cyclin A				J Med Chem 46: 3333-41 (2003) Article DOI: 10.1021/jm021095d BindingDB Entry DOI: 10.7270/Q2F76D9B
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory activity against human glycogen synthase kinase-3beta (GSK3-beta) at 100 uM ATP				J Med Chem 46: 3333-41 (2003) Article DOI: 10.1021/jm021095d BindingDB Entry DOI: 10.7270/Q2F76D9B
Novo Nordisk A/S Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using GSM as substrate incubated for 30 mins by luminescence based assay				ACS Med Chem Lett 10: 469-474 (2019) Article DOI: 10.1021/acsmedchemlett.8b00507
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to biotinylated CREB-peptide substrate after 1 hr by scintillation counti...				Bioorg Med Chem Lett 20: 1693-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.038 BindingDB Entry DOI: 10.7270/Q2ZK5HNS
Roche Palo Alto Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Marine Sciences (IFM-GEOMAR) Curated by ChEMBL					Assay Description Inhibition of GSK3-beta by luminescent assay				J Nat Prod 74: 99-101 (2011) Article DOI: 10.1021/np100633k BindingDB Entry DOI: 10.7270/Q2RR207X
					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclinB				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
The Rockefeller University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
The Rockefeller University Curated by ChEMBL					Assay Description Inhibition of GSK3alpha				Trends Pharmacol Sci 25: 471-80 (2004) Article DOI: 10.1016/j.tips.2004.07.006 BindingDB Entry DOI: 10.7270/Q2VX0HG5
The Rockefeller University Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	239	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50130725 (3-(3-Chloro-4-hydroxy-phenylamino)-4-(2-nitro-phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant GSK3-beta				J Med Chem 51: 2062-77 (2008) Article DOI: 10.1021/jm7009765 BindingDB Entry DOI: 10.7270/Q20Z744C
University of Jordan Curated by ChEMBL					More data for this Ligand-Target Pair