BDBM50114956 2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-propionamide::CHEMBL297344

SMILES: CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CC1)OCCO2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=PWYQZXIMGCRVMM-LSLXJTAPSA-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 = 50114956   

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))	BDBM50114956 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,4-dioxa...) Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CC1)OCCO2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(12.6,.72,;13.37,-.62,;12.62,-1.95,;13.24,-3.34,;11.08,-1.59,;9.74,-3.03,;11.05,-3.81,;11.05,-5.35,;9.74,-6.1,;8.42,-5.35,;8.42,-3.81,;9.74,-7.63,;8.4,-8.38,;8.4,-9.92,;9.73,-10.68,;11.05,-9.93,;11.05,-8.38,;10.84,-11.42,;10.79,-12.76,;8.47,-12.65,;8.54,-11.31,;8.89,-1.72,;9.6,-.34,;8.73,.98,;7.18,.89,;6.46,-.52,;7.33,-1.81,;14.9,-.62,;16.21,.16,;17.55,-.62,;17.55,-2.16,;16.21,-2.92,;14.9,-2.16,;16.21,-4.46,;14.9,-5.21,;17.55,-5.21,;16.63,-5.93,;18.88,.16,;20.2,-.59,;18.86,1.69,;19.26,-1.32,)| Show InChI InChI=1S/C30H34F6N2O3/c1-20(21-17-23(29(31,32)33)19-24(18-21)30(34,35)36)26(39)37-27(22-5-3-2-4-6-22)9-7-25(8-10-27)38-13-11-28(12-14-38)40-15-16-41-28/h2-6,17-20,25H,7-16H2,1H3,(H,37,39)/t20?,25-,27-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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))	BDBM50114956 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,4-dioxa...) Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CC1)OCCO2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(12.6,.72,;13.37,-.62,;12.62,-1.95,;13.24,-3.34,;11.08,-1.59,;9.74,-3.03,;11.05,-3.81,;11.05,-5.35,;9.74,-6.1,;8.42,-5.35,;8.42,-3.81,;9.74,-7.63,;8.4,-8.38,;8.4,-9.92,;9.73,-10.68,;11.05,-9.93,;11.05,-8.38,;10.84,-11.42,;10.79,-12.76,;8.47,-12.65,;8.54,-11.31,;8.89,-1.72,;9.6,-.34,;8.73,.98,;7.18,.89,;6.46,-.52,;7.33,-1.81,;14.9,-.62,;16.21,.16,;17.55,-.62,;17.55,-2.16,;16.21,-2.92,;14.9,-2.16,;16.21,-4.46,;14.9,-5.21,;17.55,-5.21,;16.63,-5.93,;18.88,.16,;20.2,-.59,;18.86,1.69,;19.26,-1.32,)| Show InChI InChI=1S/C30H34F6N2O3/c1-20(21-17-23(29(31,32)33)19-24(18-21)30(34,35)36)26(39)37-27(22-5-3-2-4-6-22)9-7-25(8-10-27)38-13-11-28(12-14-38)40-15-16-41-28/h2-6,17-20,25H,7-16H2,1H3,(H,37,39)/t20?,25-,27-	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	0.300	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