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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 = 'BDBM50305390'   
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))
BDBM50305390
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-((R)-3-...)
Show SMILES Fc1ccc(CO[C@@H]2CCN(C2)C(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C29H23Cl2FN4O2/c30-21-9-7-20(8-10-21)28-24(13-15-33)27(34-36(28)26-4-2-1-3-25(26)31)29(37)35-16-14-23(17-35)38-18-19-5-11-22(32)12-6-19/h1-12,23H,13-14,16-18H2/t23-/m1/s1
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PC cid
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Article
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n/an/a 20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair