BDBM50310794 CHEMBL1080973::N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
SMILES: CC1(CCCN(C1)C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1
InChI Key: InChIKey=MBEXSEUYYAPDIQ-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50310794 (CHEMBL1080973 | N-(2,4-dichlorobenzyl)-3-methyl-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 19: 5314-20 (2009) Article DOI: 10.1016/j.bmcl.2009.07.138 BindingDB Entry DOI: 10.7270/Q2S75GFP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Epoxide hydrolase 2 (Rattus norvegicus) | BDBM50310794 (CHEMBL1080973 | N-(2,4-dichlorobenzyl)-3-methyl-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of rat soluble epoxide hydrolase | Bioorg Med Chem Lett 19: 5314-20 (2009) Article DOI: 10.1016/j.bmcl.2009.07.138 BindingDB Entry DOI: 10.7270/Q2S75GFP | |||||||||||
More data for this Ligand-Target Pair |