BDBM50223807 CHEMBL393930::N-[(3'-deoxythymidin-3'-yl)methyl]-N'-(4-methylphenyl)thiourea

SMILES: Cc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1

InChI Key: InChIKey=DEICNDDYPHNKLW-FVQBIDKESA-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 = 50223807   

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)	BDBM50223807 (CHEMBL393930 | N-[(3'-deoxythymidin-3'-yl)methyl]-...) Show SMILES Cc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C19H24N4O4S/c1-11-3-5-14(6-4-11)21-18(28)20-8-13-7-16(27-15(13)10-24)23-9-12(2)17(25)22-19(23)26/h3-6,9,13,15-16,24H,7-8,10H2,1-2H3,(H2,20,21,28)(H,22,25,26)/t13-,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+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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