BDBM50180855 CHEMBL3818314
SMILES: COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=BCONJIVPNWPJDO-UHFFFAOYSA-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 |
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Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50180855 (CHEMBL3818314) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Cambridge Crystallographic Data Centre Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli | J Med Chem 59: 4314-25 (2016) BindingDB Entry DOI: 10.7270/Q2222WQV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |