BDBM50498079 CHEMBL3394248

SMILES: CC(C)CCOc1cccc(c1)-c1cc([S+](C)[O-])c(C#N)c(=O)[nH]1

InChI Key: InChIKey=BYBQJGHUMXCMLD-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 = 50498079   

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)	BDBM50498079 (CHEMBL3394248) Show SMILES CC(C)CCOc1cccc(c1)-c1cc([S+](C)[O-])c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C18H20N2O3S/c1-12(2)7-8-23-14-6-4-5-13(9-14)16-10-17(24(3)22)15(11-19)18(21)20-16/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	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