BDBM50223806 CHEMBL392137::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorophenyl)thiourea
SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O
InChI Key: InChIKey=IJDGQXGQAWBJEG-MJBXVCDLSA-N
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) | BDBM50223806 (CHEMBL392137 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 600 | 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 | |||||||||||||
Thymidylate kinase, putative (Plasmodium falciparum (isolate 3D7)) | BDBM50223806 (CHEMBL392137 | N-(5'-deoxy-alpha-D-thymidin-5'-yl)...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee Curated by ChEMBL | Assay Description Inhibition of recombinant Plasmodium falciparum TMPK using TMP as substrate by pyruvate kinase and lactate dehydrogenase enzyme coupled assay | J Med Chem 55: 10948-57 (2012) Article DOI: 10.1021/jm301328h BindingDB Entry DOI: 10.7270/Q2H1334S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |