BDBM50223810 CHEMBL401427::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-pyridyl)thiourea

SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3cccc(c3)-c3cccnc3)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=RPZMFAMRFLJXOI-OTWHNJEPSA-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 = 50223810   

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)	BDBM50223810 (CHEMBL401427 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3cccc(c3)-c3cccnc3)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C22H23N5O4S/c1-13-12-27(22(30)26-20(13)29)19-9-17(28)18(31-19)11-24-21(32)25-16-6-2-4-14(8-16)15-5-3-7-23-10-15/h2-8,10,12,17-19,28H,9,11H2,1H3,(H2,24,25,32)(H,26,29,30)/t17-,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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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