BDBM50134360 4-Hydroxy-3,5-dimethyl-5-(4'-methyl-biphenyl-4-ylmethyl)-5H-thiophen-2-one::CHEMBL123595
SMILES: CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)cc2)C1=O
InChI Key: InChIKey=AHOLWQOKXUOTPP-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) | BDBM50134360 (4-Hydroxy-3,5-dimethyl-5-(4'-methyl-biphenyl-4-ylm...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Birmingham Curated by ChEMBL | Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme. | Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5 | |||||||||||
More data for this Ligand-Target Pair |