BDBM50179775 4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-3-methyl-2-oxopyrrolidin-1-yl)-4-phenylcyclohexyl)-1-(2-chlorophenyl)piperazin-2-one::CHEMBL381984
SMILES: CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1Cl)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI Key: InChIKey=CFYBVDVOACRIMX-BKHKPIFNSA-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)) | BDBM50179775 (4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.99E+3 | 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 Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells | Bioorg Med Chem Lett 16: 1197-201 (2006) Article DOI: 10.1016/j.bmcl.2005.11.111 BindingDB Entry DOI: 10.7270/Q2JM296Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Substance-P receptor (Homo sapiens (Human)) | BDBM50179775 (4-((1r,4r)-4-(3-(3,5-bis(trifluoromethyl)phenyl)-3...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.480 | 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]-labelled substance P from the cloned human NK1 receptor expressed in CHO cells | Bioorg Med Chem Lett 16: 1197-201 (2006) Article DOI: 10.1016/j.bmcl.2005.11.111 BindingDB Entry DOI: 10.7270/Q2JM296Z | |||||||||||
More data for this Ligand-Target Pair |