BDBM50114937 4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid [1-(3,5-bis-trifluoromethyl-phenyl)-ethyl]-amide::CHEMBL49176

SMILES: CC(NC(=O)[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=NCIJYXAVSLQJTO-MDYYLFQXSA-N

Data: 3 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 3 hits for monomerid = 50114937   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50114937 (4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cy...) Show SMILES CC(NC(=O)[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(11.04,-4.44,;11.83,-5.77,;10.5,-6.54,;9.17,-5.77,;9.15,-4.23,;7.84,-6.56,;9.17,-7.33,;9.17,-8.87,;7.82,-9.62,;6.49,-8.87,;6.49,-7.31,;7.82,-11.16,;6.49,-11.95,;6.49,-13.49,;7.82,-14.24,;9.15,-13.49,;9.15,-11.95,;7.82,-15.78,;6.49,-16.55,;6.49,-18.09,;7.82,-18.86,;7.82,-20.4,;9.15,-18.08,;9.15,-16.55,;6.49,-5.79,;5.16,-6.56,;3.83,-5.79,;3.81,-4.23,;5.16,-3.46,;6.49,-4.23,;13.16,-6.54,;14.49,-5.77,;15.82,-6.54,;15.83,-8.08,;14.49,-8.85,;13.16,-8.08,;14.47,-10.39,;13.14,-11.16,;15.82,-11.16,;13,-9.99,;17.15,-5.77,;17.55,-7.26,;18.49,-6.53,;17.15,-4.23,)| Show InChI InChI=1S/C34H35F7N2O/c1-22(25-19-27(33(36,37)38)21-28(20-25)34(39,40)41)42-31(44)32(26-5-3-2-4-6-26)15-11-30(12-16-32)43-17-13-24(14-18-43)23-7-9-29(35)10-8-23/h2-10,19-22,24,30H,11-18H2,1H3,(H,42,44)/t22?,30-,32-	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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1				Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50114937 (4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cy...) Show SMILES CC(NC(=O)[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(11.04,-4.44,;11.83,-5.77,;10.5,-6.54,;9.17,-5.77,;9.15,-4.23,;7.84,-6.56,;9.17,-7.33,;9.17,-8.87,;7.82,-9.62,;6.49,-8.87,;6.49,-7.31,;7.82,-11.16,;6.49,-11.95,;6.49,-13.49,;7.82,-14.24,;9.15,-13.49,;9.15,-11.95,;7.82,-15.78,;6.49,-16.55,;6.49,-18.09,;7.82,-18.86,;7.82,-20.4,;9.15,-18.08,;9.15,-16.55,;6.49,-5.79,;5.16,-6.56,;3.83,-5.79,;3.81,-4.23,;5.16,-3.46,;6.49,-4.23,;13.16,-6.54,;14.49,-5.77,;15.82,-6.54,;15.83,-8.08,;14.49,-8.85,;13.16,-8.08,;14.47,-10.39,;13.14,-11.16,;15.82,-11.16,;13,-9.99,;17.15,-5.77,;17.55,-7.26,;18.49,-6.53,;17.15,-4.23,)| Show InChI InChI=1S/C34H35F7N2O/c1-22(25-19-27(33(36,37)38)21-28(20-25)34(39,40)41)42-31(44)32(26-5-3-2-4-6-26)15-11-30(12-16-32)43-17-13-24(14-18-43)23-7-9-29(35)10-8-23/h2-10,19-22,24,30H,11-18H2,1H3,(H,42,44)/t22?,30-,32-	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1				Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50114937 (4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cy...) Show SMILES CC(NC(=O)[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(11.04,-4.44,;11.83,-5.77,;10.5,-6.54,;9.17,-5.77,;9.15,-4.23,;7.84,-6.56,;9.17,-7.33,;9.17,-8.87,;7.82,-9.62,;6.49,-8.87,;6.49,-7.31,;7.82,-11.16,;6.49,-11.95,;6.49,-13.49,;7.82,-14.24,;9.15,-13.49,;9.15,-11.95,;7.82,-15.78,;6.49,-16.55,;6.49,-18.09,;7.82,-18.86,;7.82,-20.4,;9.15,-18.08,;9.15,-16.55,;6.49,-5.79,;5.16,-6.56,;3.83,-5.79,;3.81,-4.23,;5.16,-3.46,;6.49,-4.23,;13.16,-6.54,;14.49,-5.77,;15.82,-6.54,;15.83,-8.08,;14.49,-8.85,;13.16,-8.08,;14.47,-10.39,;13.14,-11.16,;15.82,-11.16,;13,-9.99,;17.15,-5.77,;17.55,-7.26,;18.49,-6.53,;17.15,-4.23,)| Show InChI InChI=1S/C34H35F7N2O/c1-22(25-19-27(33(36,37)38)21-28(20-25)34(39,40)41)42-31(44)32(26-5-3-2-4-6-26)15-11-30(12-16-32)43-17-13-24(14-18-43)23-7-9-29(35)10-8-23/h2-10,19-22,24,30H,11-18H2,1H3,(H,42,44)/t22?,30-,32-	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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labeled substance P from the cloned Tachykinin receptor 1				Bioorg Med Chem Lett 12: 1755-8 (2002) BindingDB Entry DOI: 10.7270/Q2SX6CKH
					More data for this Ligand-Target Pair