Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1   (330/330 = 100%)† (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 UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1   (330/330 = 100%)† (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 UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1   (330/330 = 100%)† (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 UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1   (523/551 = 95%)† (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 KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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
					More data for this Ligand-Target Pair				3D Structure (crystal)

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