BDBM50029887 2-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymethyl)-benzonitrile::CHEMBL344970

SMILES: N#Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=OQKBUEOIKFHGHT-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50029887   

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))	BDBM50029887 (2-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymet...) Show SMILES N#Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1 |(7.59,-.8,;8.93,-1.57,;10.26,-2.33,;11.58,-1.57,;12.93,-2.33,;12.93,-3.87,;11.59,-4.65,;10.26,-3.87,;8.93,-4.63,;8.92,-6.17,;7.62,-6.94,;6.24,-6.21,;7.01,-7.34,;5.59,-8.21,;6.34,-9.31,;4.97,-8.57,;4.93,-7.02,;7.66,-8.49,;8.99,-9.2,;10.33,-8.44,;10.33,-6.9,;11.66,-6.12,;12.99,-6.9,;12.99,-8.44,;11.66,-9.2,;8.99,-10.74,;7.65,-11.5,;7.65,-13.04,;8.99,-13.81,;10.33,-13.04,;10.33,-11.5,)| Show InChI InChI=1S/C28H28N2O/c29-19-24-13-7-8-14-25(24)20-31-28-23-15-17-30(18-16-23)27(28)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26-28H,15-18,20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Merck, Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1				J Med Chem 38: 4793-805 (1996) BindingDB Entry DOI: 10.7270/Q2PG1QRK
					More data for this Ligand-Target Pair