BDBM50089953 CHEMBL3581175

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl

InChI Key: InChIKey=VEGWXSCWSIDWLY-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 = 50089953   

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))	BDBM50089953 (CHEMBL3581175) Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl |c:1| Show InChI InChI=1S/C25H25Cl3N2O2S/c26-17-3-1-2-4-22(17)33-25-20(31)13-15(14-21(25)32)23-18(27)7-8-19(24(23)28)30-11-9-29(10-12-30)16-5-6-16/h1-4,7-8,15-16,31H,5-6,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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 25: 75-82 (2015) Article DOI: 10.1016/j.bmcl.2014.11.008 BindingDB Entry DOI: 10.7270/Q2BR8TXC
					More data for this Ligand-Target Pair