BDBM50223819 CHEMBL393394::N-(3',5'-dideoxy-2',3'-didehydro-alpha-D-thymidin-5'-yl)-N-(3-trifluoromethyl-4-chlorophenyl)thiourea
SMILES: Cc1cn([C@H]2O[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)C=C2)c(=O)[nH]c1=O
InChI Key: InChIKey=BYYDKJRNWJZFLB-FZMZJTMJSA-N
Data: 1 KI
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) | BDBM50223819 (CHEMBL393394 | N-(3',5'-dideoxy-2',3'-didehydro-al...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 3.80E+3 | 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 |