BDBM50223801 CHEMBL392953::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea

SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=IIVMPGBHYHZMAQ-ZNMIVQPWSA-N

Data: 1 KI

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 = 50223801   

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)	BDBM50223801 (CHEMBL392953 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C19H20ClF3N4O4S/c1-9-8-27(18(30)26-16(9)29)15-5-13(28)14(31-15)7-25-17(32)24-6-10-2-3-12(20)11(4-10)19(21,22)23/h2-4,8,13-15,28H,5-7H2,1H3,(H2,24,25,32)(H,26,29,30)/t13-,14+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Gent Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay				J Med Chem 50: 5281-92 (2007) Article DOI: 10.1021/jm0706158 BindingDB Entry DOI: 10.7270/Q2QJ7H1Z
					More data for this Ligand-Target Pair