BDBM50030230 (S)-((S)-9-Benzhydryl-1-aza-tricyclo[4.3.1.0*3,7*]dec-8-yl)-(2-methoxy-benzyl)-amine::CHEMBL95561

SMILES: COc1ccccc1CNC1C2C3CCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LJKYQYVSIFOVJJ-QCWLJUHMSA-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 = 50030230   

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))	BDBM50030230 ((S)-((S)-9-Benzhydryl-1-aza-tricyclo[4.3.1.0*3,7*]...) Show SMILES COc1ccccc1CNC1C2C3CCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1 |wD:19.23,TLB:13:12:19.10:15.16,(7.71,-5.53,;6.37,-4.76,;6.37,-3.22,;7.71,-2.45,;7.71,-.89,;6.37,-.12,;5.04,-.91,;5.04,-2.45,;3.69,-3.22,;3.69,-4.76,;2.36,-5.53,;1.03,-4.74,;1.8,-6.07,;-1.63,-6.28,;-1.63,-4.74,;-.3,-5.51,;-.3,-7.05,;1.03,-7.82,;.37,-6.77,;2.36,-7.07,;3.71,-7.82,;3.69,-9.38,;5.02,-10.13,;5.04,-11.67,;3.69,-12.44,;2.36,-11.67,;2.36,-10.13,;5.19,-7.43,;5.58,-5.95,;7.05,-5.54,;8.15,-6.63,;7.77,-8.1,;6.28,-8.52,)| Show InChI InChI=1S/C30H34N2O/c1-33-26-15-9-8-14-23(26)18-31-29-27-24-16-17-25(27)20-32(19-24)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-25,27-31H,16-20H2,1H3/t24?,25?,27?,29?,30-/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer, Inc. Curated by ChEMBL					Assay Description Tested in vitro for the binding affinity towards NK1 receptor in human IM-9 cells using [125I]-labeled bolton-hunter substance P as ligand				J Med Chem 37: 2831-40 (1994) BindingDB Entry DOI: 10.7270/Q2CZ365J
					More data for this Ligand-Target Pair