BDBM50223796 CHEMBL398111::N-[(thymin-1-yl)methoxyethyl]-N'-(4-chloro-3-trifluoromethylphenyl)thiourea

SMILES: Cc1cn(COCCNC(=S)Nc2ccc(Cl)c(c2)C(F)(F)F)c(=O)[nH]c1=O

InChI Key: InChIKey=JNNRTSXRNVBUSR-UHFFFAOYSA-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 = 50223796   

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)	BDBM50223796 (CHEMBL398111 | N-[(thymin-1-yl)methoxyethyl]-N'-(4...) Show SMILES Cc1cn(COCCNC(=S)Nc2ccc(Cl)c(c2)C(F)(F)F)c(=O)[nH]c1=O Show InChI InChI=1S/C16H16ClF3N4O3S/c1-9-7-24(15(26)23-13(9)25)8-27-5-4-21-14(28)22-10-2-3-12(17)11(6-10)16(18,19)20/h2-3,6-7H,4-5,8H2,1H3,(H2,21,22,28)(H,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.70E+4	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