BDBM50114964 2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isopropyl-piperazin-1-yl)-1-phenyl-cyclohexyl]-propionamide::CHEMBL296979

SMILES: CC(C)N1CCN(CC1)[C@H]1CC[C@@](CC1)(NC(=O)C(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=QUXYPYOPGAKDPS-QGEZMCGCSA-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 = 50114964   

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))	BDBM50114964 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isoprop...) Show SMILES CC(C)N1CCN(CC1)[C@H]1CC[C@@](CC1)(NC(=O)C(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |wU:12.16,wD:9.9,(8.38,-12.86,;9.72,-12.1,;11.05,-12.88,;9.73,-10.56,;11.05,-9.81,;11.05,-8.26,;9.74,-7.51,;8.4,-8.26,;8.4,-9.8,;9.74,-5.98,;11.05,-5.23,;11.05,-3.69,;9.74,-2.92,;8.42,-3.69,;8.42,-5.23,;11.08,-1.48,;12.62,-1.83,;13.24,-3.22,;13.37,-.5,;12.6,.84,;14.9,-.5,;16.21,.27,;17.55,-.5,;17.55,-2.04,;16.21,-2.8,;14.9,-2.04,;16.21,-4.35,;14.9,-5.11,;17.55,-5.11,;14.74,-3.95,;18.88,.27,;20.2,-.48,;18.86,1.81,;19.26,-1.2,;8.89,-1.6,;9.6,-.22,;8.73,1.09,;7.18,1.01,;6.46,-.41,;7.33,-1.7,)| Show InChI InChI=1S/C30H37F6N3O/c1-20(2)38-13-15-39(16-14-38)26-9-11-28(12-10-26,23-7-5-4-6-8-23)37-27(40)21(3)22-17-24(29(31,32)33)19-25(18-22)30(34,35)36/h4-8,17-21,26H,9-16H2,1-3H3,(H,37,40)/t21?,26-,28-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+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 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))	BDBM50114964 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isoprop...) Show SMILES CC(C)N1CCN(CC1)[C@H]1CC[C@@](CC1)(NC(=O)C(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |wU:12.16,wD:9.9,(8.38,-12.86,;9.72,-12.1,;11.05,-12.88,;9.73,-10.56,;11.05,-9.81,;11.05,-8.26,;9.74,-7.51,;8.4,-8.26,;8.4,-9.8,;9.74,-5.98,;11.05,-5.23,;11.05,-3.69,;9.74,-2.92,;8.42,-3.69,;8.42,-5.23,;11.08,-1.48,;12.62,-1.83,;13.24,-3.22,;13.37,-.5,;12.6,.84,;14.9,-.5,;16.21,.27,;17.55,-.5,;17.55,-2.04,;16.21,-2.8,;14.9,-2.04,;16.21,-4.35,;14.9,-5.11,;17.55,-5.11,;14.74,-3.95,;18.88,.27,;20.2,-.48,;18.86,1.81,;19.26,-1.2,;8.89,-1.6,;9.6,-.22,;8.73,1.09,;7.18,1.01,;6.46,-.41,;7.33,-1.7,)| Show InChI InChI=1S/C30H37F6N3O/c1-20(2)38-13-15-39(16-14-38)26-9-11-28(12-10-26,23-7-5-4-6-8-23)37-27(40)21(3)22-17-24(29(31,32)33)19-25(18-22)30(34,35)36/h4-8,17-21,26H,9-16H2,1-3H3,(H,37,40)/t21?,26-,28-	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	0.390	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