BDBM50002655 ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-ethyl-benzyl)-amine::(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-ethyl-benzyl)-amine::CHEMBL315435

SMILES: CCc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=DOCORIWGLZNMHN-VMPREFPWSA-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 = 50002655   

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))	BDBM50002655 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES CCc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(2.99,-4.39,;2.99,-5.93,;4.32,-6.7,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;1.08,-11.86,;-.25,-12.62,;.33,-13.61,;-1,-12.84,;-1,-11.3,;1.66,-12.84,;2.99,-13.61,;2.99,-15.15,;4.32,-15.92,;4.32,-17.46,;2.99,-18.23,;1.64,-17.46,;1.64,-15.92,;4.53,-13.61,;5.28,-12.28,;6.82,-12.28,;7.61,-13.61,;6.84,-14.94,;5.3,-14.94,)| Show InChI InChI=1S/C29H34N2/c1-2-22-11-9-10-16-26(22)21-30-28-25-17-19-31(20-18-25)29(28)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,25,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.				J Med Chem 41: 3609-23 (1998) Article DOI: 10.1021/jm9700171 BindingDB Entry DOI: 10.7270/Q2V1260Z
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50002655 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES CCc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(2.99,-4.39,;2.99,-5.93,;4.32,-6.7,;5.65,-5.93,;7,-6.7,;6.98,-8.24,;5.65,-9.01,;4.32,-8.22,;2.99,-8.99,;2.99,-10.53,;1.66,-11.3,;.33,-10.53,;1.08,-11.86,;-.25,-12.62,;.33,-13.61,;-1,-12.84,;-1,-11.3,;1.66,-12.84,;2.99,-13.61,;2.99,-15.15,;4.32,-15.92,;4.32,-17.46,;2.99,-18.23,;1.64,-17.46,;1.64,-15.92,;4.53,-13.61,;5.28,-12.28,;6.82,-12.28,;7.61,-13.61,;6.84,-14.94,;5.3,-14.94,)| Show InChI InChI=1S/C29H34N2/c1-2-22-11-9-10-16-26(22)21-30-28-25-17-19-31(20-18-25)29(28)27(23-12-5-3-6-13-23)24-14-7-4-8-15-24/h3-16,25,27-30H,2,17-21H2,1H3/t28-,29-/m0/s1	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	17	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