BDBM50114957 2-(3,5-Bis-trifluoromethyl-phenyl)-N-(1-phenyl-4-piperidin-1-yl-cyclohexyl)-propionamide::CHEMBL3085124

SMILES: CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=HVXMBFDDSNHMEA-ASRPOVPCSA-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 = 50114957   

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))	BDBM50114957 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-(1-phenyl-4-p...) Show SMILES CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,8.11,wD:5.18,(8.42,-1.56,;7.08,-2.33,;5.75,-1.56,;4.41,-2.33,;5.75,-.02,;4.41,.75,;3.42,1.93,;1.91,1.66,;1.38,.21,;2.37,-.97,;3.89,-.7,;-.13,-.05,;-.66,-1.5,;-2.18,-1.77,;-3.17,-.59,;-2.64,.86,;-1.12,1.13,;5.4,1.93,;4.88,3.37,;5.87,4.55,;7.38,4.29,;7.91,2.84,;6.92,1.66,;7.08,-3.87,;5.75,-4.64,;5.75,-6.18,;7.08,-6.95,;8.42,-6.18,;8.42,-4.64,;9.75,-6.95,;11.08,-7.72,;8.98,-8.29,;10.52,-5.62,;4.41,-6.95,;3.08,-7.72,;5.18,-8.29,;3.64,-5.62,)| Show InChI InChI=1S/C28H32F6N2O/c1-19(20-16-22(27(29,30)31)18-23(17-20)28(32,33)34)25(37)35-26(21-8-4-2-5-9-21)12-10-24(11-13-26)36-14-6-3-7-15-36/h2,4-5,8-9,16-19,24H,3,6-7,10-15H2,1H3,(H,35,37)/t19?,24-,26+	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))	BDBM50114957 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-(1-phenyl-4-p...) Show SMILES CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,8.11,wD:5.18,(8.42,-1.56,;7.08,-2.33,;5.75,-1.56,;4.41,-2.33,;5.75,-.02,;4.41,.75,;3.42,1.93,;1.91,1.66,;1.38,.21,;2.37,-.97,;3.89,-.7,;-.13,-.05,;-.66,-1.5,;-2.18,-1.77,;-3.17,-.59,;-2.64,.86,;-1.12,1.13,;5.4,1.93,;4.88,3.37,;5.87,4.55,;7.38,4.29,;7.91,2.84,;6.92,1.66,;7.08,-3.87,;5.75,-4.64,;5.75,-6.18,;7.08,-6.95,;8.42,-6.18,;8.42,-4.64,;9.75,-6.95,;11.08,-7.72,;8.98,-8.29,;10.52,-5.62,;4.41,-6.95,;3.08,-7.72,;5.18,-8.29,;3.64,-5.62,)| Show InChI InChI=1S/C28H32F6N2O/c1-19(20-16-22(27(29,30)31)18-23(17-20)28(32,33)34)25(37)35-26(21-8-4-2-5-9-21)12-10-24(11-13-26)36-14-6-3-7-15-36/h2,4-5,8-9,16-19,24H,3,6-7,10-15H2,1H3,(H,35,37)/t19?,24-,26+	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	2.40	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