BDBM50281978 (2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2.2]octane::CHEMBL30029::L-703625

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

InChI Key: InChIKey=ZNUJWZLCROWJAJ-SVBPBHIXSA-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 = 50281978   

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))	BDBM50281978 ((2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2...) Show SMILES C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(3.2,.34,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.26,-2.53,;1.07,-3.3,;.52,-4.28,;-.81,-3.51,;-.81,-1.97,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,;4.53,1.1,;4.53,2.63,;5.86,3.4,;7.19,2.63,;7.19,1.09,;5.86,.32,)| Show InChI InChI=1S/C27H29NO/c1-4-10-21(11-5-1)20-29-27-24-16-18-28(19-17-24)26(27)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t26-,27-/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	75.9	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 CHO-expressed hNK1 using [125I]SP.				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))	BDBM50281978 ((2S,3S)-2-Benzhydryl-3-benzyloxy-1-aza-bicyclo[2.2...) Show SMILES C(O[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1 |wD:9.11,2.1,(3.2,.34,;3.18,-1.2,;1.85,-1.97,;.52,-1.2,;-.26,-2.53,;1.07,-3.3,;.52,-4.28,;-.81,-3.51,;-.81,-1.97,;1.85,-3.51,;3.18,-4.28,;3.18,-5.82,;1.84,-6.59,;1.84,-8.13,;3.18,-8.9,;4.51,-8.13,;4.51,-6.59,;4.51,-3.51,;4.51,-1.98,;5.84,-1.2,;7.19,-1.98,;7.19,-3.52,;5.84,-4.28,;4.53,1.1,;4.53,2.63,;5.86,3.4,;7.19,2.63,;7.19,1.09,;5.86,.32,)| Show InChI InChI=1S/C27H29NO/c1-4-10-21(11-5-1)20-29-27-24-16-18-28(19-17-24)26(27)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-27H,16-20H2/t26-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO Cells				Bioorg Med Chem Lett 3: 1361-1366 (1993) Article DOI: 10.1016/S0960-894X(00)80349-2 BindingDB Entry DOI: 10.7270/Q2251J4R
					More data for this Ligand-Target Pair