BDBM50114961 2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-oxo-piperidin-1-yl)-1-phenyl-cyclohexyl]-propionamide::CHEMBL431732

SMILES: CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=ULGRQLVPRVAYJC-QPTNECHASA-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 = 50114961   

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))	BDBM50114961 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-oxo-pip...) Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(12.6,.58,;13.37,-.76,;12.62,-2.07,;13.24,-3.48,;11.08,-1.74,;9.74,-3.17,;11.05,-3.95,;11.05,-5.49,;9.74,-6.24,;8.42,-5.49,;8.42,-3.95,;9.74,-7.77,;8.4,-8.52,;8.4,-10.06,;9.73,-10.82,;9.72,-12.36,;11.05,-10.07,;11.05,-8.52,;8.89,-1.86,;9.6,-.48,;8.73,.84,;7.18,.75,;6.46,-.66,;7.33,-1.95,;14.9,-.76,;16.21,.02,;17.55,-.76,;17.55,-2.3,;16.21,-3.06,;14.9,-2.3,;16.21,-4.6,;14.9,-5.36,;17.55,-5.36,;14.74,-4.21,;18.88,.02,;20.2,-.73,;18.86,1.55,;19.26,-1.46,)| Show InChI InChI=1S/C28H30F6N2O2/c1-18(19-15-21(27(29,30)31)17-22(16-19)28(32,33)34)25(38)35-26(20-5-3-2-4-6-20)11-7-23(8-12-26)36-13-9-24(37)10-14-36/h2-6,15-18,23H,7-14H2,1H3,(H,35,38)/t18?,23-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+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))	BDBM50114961 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-oxo-pip...) Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(12.6,.58,;13.37,-.76,;12.62,-2.07,;13.24,-3.48,;11.08,-1.74,;9.74,-3.17,;11.05,-3.95,;11.05,-5.49,;9.74,-6.24,;8.42,-5.49,;8.42,-3.95,;9.74,-7.77,;8.4,-8.52,;8.4,-10.06,;9.73,-10.82,;9.72,-12.36,;11.05,-10.07,;11.05,-8.52,;8.89,-1.86,;9.6,-.48,;8.73,.84,;7.18,.75,;6.46,-.66,;7.33,-1.95,;14.9,-.76,;16.21,.02,;17.55,-.76,;17.55,-2.3,;16.21,-3.06,;14.9,-2.3,;16.21,-4.6,;14.9,-5.36,;17.55,-5.36,;14.74,-4.21,;18.88,.02,;20.2,-.73,;18.86,1.55,;19.26,-1.46,)| Show InChI InChI=1S/C28H30F6N2O2/c1-18(19-15-21(27(29,30)31)17-22(16-19)28(32,33)34)25(38)35-26(20-5-3-2-4-6-20)11-7-23(8-12-26)36-13-9-24(37)10-14-36/h2-6,15-18,23H,7-14H2,1H3,(H,35,38)/t18?,23-,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	1.60	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