BDBM50250681 CHEMBL4096677

SMILES: OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=NSIIPDAWTHMANK-UHFFFAOYSA-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 = 50250681   

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))	BDBM50250681 (CHEMBL4096677) Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H7Cl2N3O3S/c14-7-2-1-6(3-8(7)15)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of human liver LDHA using sodium pyruvate as substrate after 5 mins in presence of NAPDH and in absence of EDTA by diaphorase/resazurin ba...				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50250681 (CHEMBL4096677) Show SMILES OC(=O)c1csc(n1)-n1nc(cc1O)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H7Cl2N3O3S/c14-7-2-1-6(3-8(7)15)9-4-11(19)18(17-9)13-16-10(5-22-13)12(20)21/h1-5,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Binding affinity to human His-tagged LDHA in presence of NADH by SPR assay				J Med Chem 60: 9184-9204 (2017) Article DOI: 10.1021/acs.jmedchem.7b00941 BindingDB Entry DOI: 10.7270/Q2DJ5J28
					More data for this Ligand-Target Pair