BDBM50114942 2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexyl}-propionamide::CHEMBL296397
SMILES: CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=LKUBJXGOOGUQGP-MDYYLFQXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50114942 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel) | Bioorg Med Chem Lett 12: 1759-62 (2002) BindingDB Entry DOI: 10.7270/Q2P55MV3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50114942 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1 | Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50114942 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125 I] -labelled substance P from the cloned Tachykinin receptor 1 expressed in CHO cells | Bioorg Med Chem Lett 12: 1759-62 (2002) BindingDB Entry DOI: 10.7270/Q2P55MV3 | |||||||||||
More data for this Ligand-Target Pair |