BDBM50220625 4-hydroxy-3,5-dimethyl-5-(4-phenoxy-benzyl)-5H-thiophen-2-one::CHEMBL250630
SMILES: CC1C(=O)SC(C)(Cc2ccc(Oc3ccccc3)cc2)C1=O
InChI Key: InChIKey=ZRNQPLQZPDKUGI-UHFFFAOYSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis) | BDBM50220625 (4-hydroxy-3,5-dimethyl-5-(4-phenoxy-benzyl)-5H-thi...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Birmingham Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis FabH | Bioorg Med Chem Lett 17: 5643-6 (2007) Article DOI: 10.1016/j.bmcl.2007.07.082 BindingDB Entry DOI: 10.7270/Q2QF8TPJ | |||||||||||
More data for this Ligand-Target Pair |