BDBM25792 4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine::piperidine, b3
SMILES: Cc1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
InChI Key: InChIKey=DVOLWKZEIDCCES-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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Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM25792 (4-benzyl-1-[(4-methylphenyl)carbonyl]piperidine | ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars | DrugBank MMDB PDB Article PubMed | n/a | n/a | 5.16E+3 | n/a | n/a | n/a | n/a | 6.8 | 23 |
Incyte Corporation | Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ... | Bioorg Med Chem 15: 6649-58 (2007) Article DOI: 10.1016/j.bmc.2007.08.013 BindingDB Entry DOI: 10.7270/Q24M92VH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |