BDBM50498060 CHEMBL3394249

SMILES: CS(=O)(=O)c1cc([nH]c(=O)c1C#N)-c1cccc(OCc2cccc(Cl)c2)c1

InChI Key: InChIKey=PWYFUIDWXINIRW-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 = 50498060   

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
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50498060 (CHEMBL3394249) Show SMILES CS(=O)(=O)c1cc([nH]c(=O)c1C#N)-c1cccc(OCc2cccc(Cl)c2)c1 Show InChI InChI=1S/C20H15ClN2O4S/c1-28(25,26)19-10-18(23-20(24)17(19)11-22)14-5-3-7-16(9-14)27-12-13-4-2-6-15(21)8-13/h2-10H,12H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay				J Med Chem 58: 753-66 (2015) Article DOI: 10.1021/jm5012947 BindingDB Entry DOI: 10.7270/Q2JS9TD7
					More data for this Ligand-Target Pair