BDBM50052306 CHEMBL3318531

SMILES: CCOC(=O)c1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1N

InChI Key: InChIKey=FLCVMWRBQGVDQI-UHFFFAOYSA-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 = 50052306   

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))	BDBM50052306 (CHEMBL3318531) Show SMILES CCOC(=O)c1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1N |c:10| Show InChI InChI=1S/C19H19N3O4S/c1-2-26-18(25)13-10-21-19(22-17(13)20)27-16-14(23)8-12(9-15(16)24)11-6-4-3-5-7-11/h3-7,10,12,23H,2,8-9H2,1H3,(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay				Bioorg Med Chem Lett 24: 3764-71 (2014) Article DOI: 10.1016/j.bmcl.2014.06.076 BindingDB Entry DOI: 10.7270/Q2445P46
					More data for this Ligand-Target Pair