BDBM50223820 CHEMBL235685::N-[(3'-deoxythymidin-3'-yl)methyl]-N'-(4-methoxyphenyl)thiourea

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

InChI Key: InChIKey=JKRVUHMTJHUONI-DAXOMENPSA-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 = 50223820   

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)	BDBM50223820 (CHEMBL235685 | N-[(3'-deoxythymidin-3'-yl)methyl]-...) Show SMILES COc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C19H24N4O5S/c1-11-9-23(19(26)22-17(11)25)16-7-12(15(10-24)28-16)8-20-18(29)21-13-3-5-14(27-2)6-4-13/h3-6,9,12,15-16,24H,7-8,10H2,1-2H3,(H2,20,21,29)(H,22,25,26)/t12-,15-,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+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
					More data for this Ligand-Target Pair