BDBM50114963 2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-oxa-8-aza-spiro[4.5]dec-8-yl)-1-phenyl-cyclohexyl]-propionamide::CHEMBL3085127

SMILES: CC(C(=O)NC1(CCC(CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=LDVRAJSZIPKJHL-UHFFFAOYSA-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 = 50114963   

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))	BDBM50114963 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-oxa-8-a...) Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(6.52,-1.72,;5.07,-2.25,;3.89,-1.26,;2.44,-1.78,;4.16,.26,;2.98,1.25,;2.21,2.58,;.67,2.58,;-.1,1.25,;.67,-.08,;2.21,-.08,;-1.64,1.25,;-2.41,2.58,;-3.95,2.58,;-4.72,1.25,;-5.63,2.5,;-7.09,2.02,;-7.09,.48,;-5.63,0,;-3.95,-.08,;-2.41,-.08,;4.16,2.24,;3.89,3.76,;5.07,4.75,;6.52,4.22,;6.79,2.7,;5.61,1.71,;4.8,-3.76,;5.98,-4.75,;5.72,-6.27,;4.27,-6.8,;3.09,-5.81,;3.36,-4.29,;1.64,-6.33,;.19,-6.86,;2.17,-7.78,;1.11,-4.89,;6.9,-7.26,;8.08,-8.25,;7.89,-6.08,;5.91,-8.44,)| Show InChI InChI=1S/C31H36F6N2O2/c1-21(22-17-24(30(32,33)34)19-25(18-22)31(35,36)37)27(40)38-29(23-5-3-2-4-6-23)9-7-26(8-10-29)39-14-11-28(12-15-39)13-16-41-20-28/h2-6,17-19,21,26H,7-16,20H2,1H3,(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	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))	BDBM50114963 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-oxa-8-a...) Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(6.52,-1.72,;5.07,-2.25,;3.89,-1.26,;2.44,-1.78,;4.16,.26,;2.98,1.25,;2.21,2.58,;.67,2.58,;-.1,1.25,;.67,-.08,;2.21,-.08,;-1.64,1.25,;-2.41,2.58,;-3.95,2.58,;-4.72,1.25,;-5.63,2.5,;-7.09,2.02,;-7.09,.48,;-5.63,0,;-3.95,-.08,;-2.41,-.08,;4.16,2.24,;3.89,3.76,;5.07,4.75,;6.52,4.22,;6.79,2.7,;5.61,1.71,;4.8,-3.76,;5.98,-4.75,;5.72,-6.27,;4.27,-6.8,;3.09,-5.81,;3.36,-4.29,;1.64,-6.33,;.19,-6.86,;2.17,-7.78,;1.11,-4.89,;6.9,-7.26,;8.08,-8.25,;7.89,-6.08,;5.91,-8.44,)| Show InChI InChI=1S/C31H36F6N2O2/c1-21(22-17-24(30(32,33)34)19-25(18-22)31(35,36)37)27(40)38-29(23-5-3-2-4-6-23)9-7-26(8-10-29)39-14-11-28(12-15-39)13-16-41-20-28/h2-6,17-19,21,26H,7-16,20H2,1H3,(H,38,40)	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	0.340	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