BindingDB PrimarySearch

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 3 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 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 nM	k_off s^-1	k_on 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 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
Lund University Curated by ChEMBL					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 Show InChI	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
Pfizer Inc Curated by ChEMBL					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 Show InChI	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	n/a	800	n/a	n/a	n/a	n/a
Volgograd State Medical University Curated by ChEMBL					Assay Description Activation of human AMPK alpha1/beta1/gamma1 expressed in baculovirus/Sf9 cells using SAMS peptide as substrate incubated for 15 mins by in presence ...				Bioorg Med Chem Lett 29: 2443-2447 (2019) Article DOI: 10.1016/j.bmcl.2019.07.035
Volgograd State Medical University Curated by ChEMBL					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 Show InChI	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	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) Article DOI: 10.1021/acs.jmedchem.5b01201 BindingDB Entry DOI: 10.7270/Q26976KB
Maastricht University Curated by ChEMBL					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 Show InChI	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	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) Article DOI: 10.1021/acs.jmedchem.5b01201 BindingDB Entry DOI: 10.7270/Q26976KB
Maastricht University Curated by ChEMBL					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 Show InChI	PDB KEGG 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	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) Article DOI: 10.1021/acs.jmedchem.8b00180 BindingDB Entry DOI: 10.7270/Q2DJ5J62
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)