BDBM50318917 2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorophenyl)-6-(3-hydroxypiperidin-1-yl)pyridin-3-yl)-N,2-dimethylpropanamide::CHEMBL1083051
SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1Cl)N1CCCC(O)C1
InChI Key: InChIKey=MSGGUBXMXWEJRT-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50318917 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells | Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50318917 (2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-chlorop...) | Reactome pathway KEGG GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]SR142801 from human NK3 receptor expressed in HEK-293-EBNA cells | Bioorg Med Chem Lett 20: 3405-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.008 BindingDB Entry DOI: 10.7270/Q2S75GHK | |||||||||||
More data for this Ligand-Target Pair |