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BDBM50030236 (S)-((S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]dec-9-yl)-(2-methoxy-benzyl)-amine::CHEMBL329090

SMILES: COc1ccccc1CNC1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LJKDZSJYYRZNMT-ICQJPXRGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030236   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50030236
PNG
((S)-((S)-8-Benzhydryl-7-aza-tricyclo[4.3.1.0*3,7*]...)
Show SMILES COc1ccccc1CNC1C2CC3CCC(C2)N3[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H34N2O/c1-33-27-15-9-8-14-23(27)20-31-29-24-18-25-16-17-26(19-24)32(25)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-26,28-31H,16-20H2,1H3/t24?,25?,26?,29?,30-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 0.920n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00044a002
BindingDB Entry DOI: 10.7270/Q2CZ365J
More data for this
Ligand-Target Pair