BDBM50029875 2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bicyclo[2.2.2]octane::CHEMBL145077

SMILES: COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1

InChI Key: InChIKey=DCAGUAUHSOJEOX-UHFFFAOYSA-N

Data: 2 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 = 50029875   

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))	BDBM50029875 (2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bic...) Show SMILES COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1 |(15.55,-3.88,;14.23,-4.64,;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,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;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,;10.26,-2.33,;11.58,-1.57,;11.59,-.05,;10.27,.7,;12.93,-2.33,)| Show InChI InChI=1S/C29H33NO3/c1-31-25-17-21(18-26(19-25)32-2)20-33-29-24-13-15-30(16-14-24)28(29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,27-29H,13-16,20H2,1-2H3	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	9.30	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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50029875 (2-Benzhydryl-3-(3,5-dimethoxy-benzyloxy)-1-aza-bic...) Show SMILES COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1 |(15.55,-3.88,;14.23,-4.64,;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,;4.93,-7.02,;4.97,-8.57,;6.34,-9.31,;5.59,-8.21,;7.01,-7.34,;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,;10.26,-2.33,;11.58,-1.57,;11.59,-.05,;10.27,.7,;12.93,-2.33,)| Show InChI InChI=1S/C29H33NO3/c1-31-25-17-21(18-26(19-25)32-2)20-33-29-24-13-15-30(16-14-24)28(29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-19,24,27-29H,13-16,20H2,1-2H3	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	8.30	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