BDBM50114399 CHEMBL3608330

SMILES: OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1

InChI Key: InChIKey=TYUVARMQUDPKMP-RQZCQDPDSA-N

Data: 2 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 2 hits for monomerid = 50114399   

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))	BDBM50114399 (CHEMBL3608330) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1 Show InChI InChI=1S/C15H11N3O4/c16-7-6-14(19)18-17-9-12-4-5-13(22-12)10-2-1-3-11(8-10)15(20)21/h1-5,8-9H,6H2,(H,18,19)(H,20,21)/b17-9+	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	4.80E+4	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
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human))	BDBM50114399 (CHEMBL3608330) Show SMILES OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1 Show InChI InChI=1S/C15H11N3O4/c16-7-6-14(19)18-17-9-12-4-5-13(22-12)10-2-1-3-11(8-10)15(20)21/h1-5,8-9H,6H2,(H,18,19)(H,20,21)/b17-9+	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	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of lactate dehydrogenase-A in human Raji cells assessed as reduction of intracellular lactate level after 3 hrs				Eur J Med Chem 101: 63-70 (2015) BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair