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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 = 'BDBM50392308'   
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))
BDBM50392308
PNG
(CHEMBL2153769)
Show SMILES CC(C)[C@H](N=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C(=O)NCC(N)=O |r,w:5.5,c:21|
Show InChI InChI=1S/C29H30Cl2N6O4S/c1-18(2)26(28(39)33-16-25(32)38)34-29(36-42(40,41)23-14-12-22(31)13-15-23)37-17-24(19-6-4-3-5-7-19)27(35-37)20-8-10-21(30)11-9-20/h3-15,18,24,26H,16-17H2,1-2H3,(H2,32,38)(H,33,39)(H,34,36)/t24?,26-/m0/s1
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Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Displacement of 3[H]ligand from recombinant human CB1 receptor


Bioorg Med Chem Lett 22: 6173-80 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.004
BindingDB Entry DOI: 10.7270/Q2BV7HR2
More data for this
Ligand-Target Pair