BDBM50191352 CHEMBL3936376

SMILES: COc1ccc(cc1)-c1ccc2[nH]nc(C(O)=O)c2c1

InChI Key: InChIKey=BBTNJRYVRKDPQM-UHFFFAOYSA-N

Data: 1 Kd  1 EC50

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 2 hits for monomerid = 50191352   

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
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM50191352 (CHEMBL3936376) Show SMILES COc1ccc(cc1)-c1ccc2[nH]nc(C(O)=O)c2c1 Show InChI InChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.39E+3	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...				J Med Chem 59: 8068-81 (2016) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1 (Homo sapiens (Human))	BDBM50191352 (CHEMBL3936376) Show SMILES COc1ccc(cc1)-c1ccc2[nH]nc(C(O)=O)c2c1 Show InChI InChI=1S/C15H12N2O3/c1-20-11-5-2-9(3-6-11)10-4-7-13-12(8-10)14(15(18)19)17-16-13/h2-8H,1H3,(H,16,17)(H,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	9.95E+3	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to recombinant human AMPK alpha1/beta1/gamma1 by SPR binding assay				J Med Chem 59: 8068-81 (2016) BindingDB Entry DOI: 10.7270/Q2PZ5BRC
					More data for this Ligand-Target Pair