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BDBM50265651 2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one::CHEMBL495756

SMILES: CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CCc1ccccc1

InChI Key: InChIKey=FOOUCMPIKCEWAX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265651   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50265651
PNG
(2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazo...)
Show SMILES CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C28H32N2OS/c1-2-3-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-10-17-28)24(25)26(31)30(27)18-15-21-11-5-4-6-12-21/h4-8,11-14H,2-3,9-10,15-20H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
>50n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor


J Med Chem 52: 369-78 (2009)


Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2
More data for this
Ligand-Target Pair