BDBM50002659 ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine::(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-methoxy-benzyl)-amine::CHEMBL86806

SMILES: COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1

InChI Key: InChIKey=QRXVHHGJYZCNHF-NSOVKSMOSA-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 = 50002659   

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))	BDBM50002659 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(4.32,-3.62,;5.65,-4.39,;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,;1.64,-15.92,;1.64,-17.46,;2.99,-18.23,;4.32,-17.46,;4.32,-15.92,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,;4.32,-6.7,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-14-8-9-21(19-25)20-29-27-24-15-17-30(18-16-24)28(27)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,24,26-29H,15-18,20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	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))	BDBM50002659 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 |wD:16.18,9.8,(4.32,-3.62,;5.65,-4.39,;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,;1.64,-15.92,;1.64,-17.46,;2.99,-18.23,;4.32,-17.46,;4.32,-15.92,;4.53,-13.61,;5.3,-14.94,;6.84,-14.94,;7.61,-13.61,;6.82,-12.28,;5.28,-12.28,;4.32,-6.7,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-14-8-9-21(19-25)20-29-27-24-15-17-30(18-16-24)28(27)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-14,19,24,26-29H,15-18,20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	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