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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 = 'BDBM50260768'   
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))
BDBM50260768
PNG
(1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C24H24ClF3N6O/c1-2-32-23(22(29)35)8-11-34(12-9-23)19-14-31-20(15-3-5-17(6-4-15)24(26,27)28)21(33-19)16-7-10-30-18(25)13-16/h3-7,10,13-14,32H,2,8-9,11-12H2,1H3,(H2,29,35)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
BindingDB Entry DOI: 10.7270/Q2QR4Z0T
More data for this
Ligand-Target Pair