BDBM50223818 CHEMBL392734::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-methoxyphenyl)thiourea

SMILES: COc1ccc(NC(=S)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1

InChI Key: InChIKey=QAWJLXVRFGSWOR-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 = 50223818   

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)	BDBM50223818 (CHEMBL392734 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) Show SMILES COc1ccc(NC(=S)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-10-9-22(18(25)21-16(10)24)15-7-13(23)14(27-15)8-19-17(28)20-11-3-5-12(26-2)6-4-11/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,28)(H,21,24,25)/t13-,14+,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+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
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