BDBM50114410 CHEMBL3608332

SMILES: COC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1

InChI Key: InChIKey=OTXMYANPFGXXDT-CIAFOILYSA-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 = 50114410   

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
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114410 (CHEMBL3608332) Show SMILES COC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1 Show InChI InChI=1S/C19H15N3O4/c1-25-19(24)14-5-2-4-13(10-14)17-8-7-16(26-17)12-21-22-18(23)15-6-3-9-20-11-15/h2-12H,1H3,(H,22,23)/b21-12+	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