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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 = 'BDBM50383398'   
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))
BDBM50383398
PNG
(CHEMBL2030750)
Show SMILES CCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41)
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PC cid
PC sid
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Article
PubMed
15n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair