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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 = 'BDBM50305393'   
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))
BDBM50305393
PNG
(CHEMBL606249 | methyl 2-(1-(1-(2-chlorophenyl)-5-(...)
Show SMILES COC(=O)c1ccccc1C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C31H26Cl2N4O3/c1-40-31(39)24-7-3-2-6-23(24)20-15-18-36(19-16-20)30(38)28-25(14-17-34)29(21-10-12-22(32)13-11-21)37(35-28)27-9-5-4-8-26(27)33/h2-13,20H,14-16,18-19H2,1H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/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