BDBM50280461 ((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::CHEMBL346154

SMILES: COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=FLNYLINBEZROPL-VSGBNLITSA-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 = 50280461   

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 (GUINEA PIG)	BDBM50280461 (((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:10.10,17.20,(8.22,1.05,;9.53,1.84,;10.88,1.07,;12.19,1.84,;13.54,1.09,;13.54,-.45,;12.21,-1.24,;10.88,-.45,;9.55,-1.24,;9.57,-2.78,;8.24,-3.55,;6.89,-2.78,;5.56,-3.55,;5.56,-5.09,;6.82,-5.83,;7.61,-4.5,;6.12,-4.11,;8.24,-5.09,;9.55,-5.89,;11.04,-5.49,;12.13,-6.58,;13.61,-6.17,;14.01,-4.67,;12.91,-3.59,;11.42,-4,;9.53,-7.43,;8.17,-8.17,;8.15,-9.71,;9.48,-10.51,;10.83,-9.75,;10.85,-8.21,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral cortex membranes was determined using [3H]SP as the radioligand				Bioorg Med Chem Lett 2: 559-564 (1992) Article DOI: 10.1016/S0960-894X(01)81197-5 BindingDB Entry DOI: 10.7270/Q2N01717
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50280461 (((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:10.10,17.20,(8.22,1.05,;9.53,1.84,;10.88,1.07,;12.19,1.84,;13.54,1.09,;13.54,-.45,;12.21,-1.24,;10.88,-.45,;9.55,-1.24,;9.57,-2.78,;8.24,-3.55,;6.89,-2.78,;5.56,-3.55,;5.56,-5.09,;6.82,-5.83,;7.61,-4.5,;6.12,-4.11,;8.24,-5.09,;9.55,-5.89,;11.04,-5.49,;12.13,-6.58,;13.61,-6.17,;14.01,-4.67,;12.91,-3.59,;11.42,-4,;9.53,-7.43,;8.17,-8.17,;8.15,-9.71,;9.48,-10.51,;10.83,-9.75,;10.85,-8.21,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in rat cerebral cortex membranes was determined by using 125 [I]-BHSP as radioligand				Bioorg Med Chem Lett 2: 559-564 (1992) Article DOI: 10.1016/S0960-894X(01)81197-5 BindingDB Entry DOI: 10.7270/Q2N01717
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50280461 (((2R,3R)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 |wU:10.10,17.20,(8.22,1.05,;9.53,1.84,;10.88,1.07,;12.19,1.84,;13.54,1.09,;13.54,-.45,;12.21,-1.24,;10.88,-.45,;9.55,-1.24,;9.57,-2.78,;8.24,-3.55,;6.89,-2.78,;5.56,-3.55,;5.56,-5.09,;6.82,-5.83,;7.61,-4.5,;6.12,-4.11,;8.24,-5.09,;9.55,-5.89,;11.04,-5.49,;12.13,-6.58,;13.61,-6.17,;14.01,-4.67,;12.91,-3.59,;11.42,-4,;9.53,-7.43,;8.17,-8.17,;8.15,-9.71,;9.48,-10.51,;10.83,-9.75,;10.85,-8.21,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligand				J Med Chem 35: 2591-600 (1992) BindingDB Entry DOI: 10.7270/Q2SJ1JJF
					More data for this Ligand-Target Pair