BDBM50114412 CHEMBL3609812

SMILES: COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cccc(n1)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=PZMQNXBUXJCIQO-ZMOGYAJESA-N

Data: 1 IC50

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 1 hit for monomerid = 50114412   

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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50114412 (CHEMBL3609812) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cccc(n1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C23H21N3O6/c1-30-19-11-16(12-20(31-2)21(19)32-3)22(27)26-24-13-17-8-5-9-18(25-17)14-6-4-7-15(10-14)23(28)29/h4-13H,1-3H3,(H,26,27)(H,28,29)/b24-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as NADH oxidation for 3 mins by fluorimetric method				Eur J Med Chem 101: 63-70 (2015) BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair