BDBM50223808 CHEMBL235478::N-(4-chlorophenyl)-N'-[(3'-deoxythymidin-3'-yl)methyl]thiourea

SMILES: Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=FSACSLMMKYESJB-KCPJHIHWSA-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 = 50223808   

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)	BDBM50223808 (CHEMBL235478 | N-(4-chlorophenyl)-N'-[(3'-deoxythy...) Show SMILES Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C18H21ClN4O4S/c1-10-8-23(18(26)22-16(10)25)15-6-11(14(9-24)27-15)7-20-17(28)21-13-4-2-12(19)3-5-13/h2-5,8,11,14-15,24H,6-7,9H2,1H3,(H2,20,21,28)(H,22,25,26)/t11-,14-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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