BDBM50242401 4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile::A-769662::CHEMBL512504

SMILES: Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12

InChI Key: InChIKey=CTESJDQKVOEUOY-UHFFFAOYSA-N

Data: 3 Kd  2 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50242401   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
AMP-activated protein kinase, alpha-1 subunit (Rattus norvegicus)	BDBM50242401 (4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...) Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	116	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Activation of rat AMPKalpha1alpha2beta1gamma1 kinase				J Biol Chem 282: 32549-60 (2007) Article DOI: 10.1074/jbc.M706536200 BindingDB Entry DOI: 10.7270/Q2BC3ZBQ
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM50242401 (4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...) Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description Binding affinity for full length human N-terminal His/BAP-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus by surface pla...				Bioorg Med Chem Lett 26: 5139-5148 (2016) Article DOI: 10.1016/j.bmcl.2016.09.065 BindingDB Entry DOI: 10.7270/Q25M67PH
					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha1/beta2/gamma1 (Homo sapiens (Human))	BDBM50242401 (4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...) Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a
Maastricht University Curated by ChEMBL					Assay Description Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta2gamma1 expressed in Escherichia coli BL21 cells after 1 to...				J Med Chem 59: 2879-93 (2016) BindingDB Entry DOI: 10.7270/Q26976KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM50242401 (4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...) Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a
Maastricht University Curated by ChEMBL					Assay Description Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta1gamma1 expressed in Escherichia coli BL21 cells after 1 to...				J Med Chem 59: 2879-93 (2016) BindingDB Entry DOI: 10.7270/Q26976KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
AMPK alpha2/beta1/gamma1 (Homo sapiens (Human))	BDBM50242401 (4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...) Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12 Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	n/a	390	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activation of human AMPK alpha2/beta1/gamma1 expressed in Escherichia coli BL21				J Med Chem 61: 6421-6467 (2018) BindingDB Entry DOI: 10.7270/Q2DJ5J62
					More data for this Ligand-Target Pair				3D Structure (crystal)