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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 = 'BDBM50011322'   
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))
BDBM50011322
PNG
(CHEMBL3260745)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3
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PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair