BDBM50040083 CHEMBL3359429

SMILES: CC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1

InChI Key: InChIKey=PVSHHPHKLAOXAY-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 = 50040083   

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))	BDBM50040083 (CHEMBL3359429) Show SMILES CC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:4| Show InChI InChI=1S/C18H15ClO3S/c1-18(12-7-3-2-4-8-12)11-14(20)16(17(21)22-18)23-15-10-6-5-9-13(15)19/h2-10,20H,11H2,1H3	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	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human LDH-A by biochemical assay				Bioorg Med Chem Lett 24: 5683-7 (2014) Article DOI: 10.1016/j.bmcl.2014.10.067 BindingDB Entry DOI: 10.7270/Q23J3FK6
					More data for this Ligand-Target Pair