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

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50179775   

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...) Show 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 |wU:7.7,wD:10.14,(21.77,-10.25,;21.01,-11.59,;20.37,-10.19,;18.84,-10.36,;18.53,-11.87,;19.87,-12.63,;20.05,-14.16,;17.21,-12.65,;18.54,-13.42,;18.54,-14.96,;17.21,-15.73,;15.88,-14.96,;15.88,-13.42,;17.21,-17.27,;15.87,-18.04,;15.87,-19.59,;17.21,-20.35,;18.54,-19.58,;19.88,-20.34,;18.54,-18.04,;17.22,-21.89,;15.89,-22.66,;15.89,-24.2,;17.23,-24.97,;18.56,-24.19,;18.55,-22.65,;19.88,-21.87,;15.87,-11.88,;15.87,-10.33,;14.52,-9.56,;13.18,-10.33,;13.19,-11.89,;14.54,-12.66,;22.52,-11.9,;23.84,-11.11,;25.18,-11.86,;25.19,-13.41,;23.86,-14.19,;22.52,-13.43,;23.87,-15.73,;23.86,-17.26,;25.41,-15.73,;22.33,-15.74,;26.5,-11.08,;27.82,-10.3,;25.72,-9.75,;27.29,-12.4,)| Show InChI InChI=1S/C35H34ClF6N3O2/c1-32(24-19-25(34(37,38)39)21-26(20-24)35(40,41)42)15-16-45(31(32)47)33(23-7-3-2-4-8-23)13-11-27(12-14-33)43-17-18-44(30(46)22-43)29-10-6-5-9-28(29)36/h2-10,19-21,27H,11-18,22H2,1H3/t27-,32?,33-	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...) Show 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 |wU:7.7,wD:10.14,(21.77,-10.25,;21.01,-11.59,;20.37,-10.19,;18.84,-10.36,;18.53,-11.87,;19.87,-12.63,;20.05,-14.16,;17.21,-12.65,;18.54,-13.42,;18.54,-14.96,;17.21,-15.73,;15.88,-14.96,;15.88,-13.42,;17.21,-17.27,;15.87,-18.04,;15.87,-19.59,;17.21,-20.35,;18.54,-19.58,;19.88,-20.34,;18.54,-18.04,;17.22,-21.89,;15.89,-22.66,;15.89,-24.2,;17.23,-24.97,;18.56,-24.19,;18.55,-22.65,;19.88,-21.87,;15.87,-11.88,;15.87,-10.33,;14.52,-9.56,;13.18,-10.33,;13.19,-11.89,;14.54,-12.66,;22.52,-11.9,;23.84,-11.11,;25.18,-11.86,;25.19,-13.41,;23.86,-14.19,;22.52,-13.43,;23.87,-15.73,;23.86,-17.26,;25.41,-15.73,;22.33,-15.74,;26.5,-11.08,;27.82,-10.3,;25.72,-9.75,;27.29,-12.4,)| Show InChI InChI=1S/C35H34ClF6N3O2/c1-32(24-19-25(34(37,38)39)21-26(20-24)35(40,41)42)15-16-45(31(32)47)33(23-7-3-2-4-8-23)13-11-27(12-14-33)43-17-18-44(30(46)22-43)29-10-6-5-9-28(29)36/h2-10,19-21,27H,11-18,22H2,1H3/t27-,32?,33-	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