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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50380890'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50380890
PNG
(CHEMBL2019087)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc2CCCCCCc2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C27H31N3O4/c28-17-19-10-12-20(13-11-19)18-30-23-9-5-2-1-4-8-21(23)16-22(25(30)32)24(31)29-27(26(33)34)14-6-3-7-15-27/h10-13,16H,1-9,14-15,18H2,(H,29,31)(H,33,34)
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PC cid
PC sid
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Similars

Article
PubMed
3.95E+3n/an/an/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins


Bioorg Med Chem Lett 22: 2803-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.072
BindingDB Entry DOI: 10.7270/Q2DB82VV
More data for this
Ligand-Target Pair