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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 = 'BDBM50260717'   
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))
BDBM50260717
PNG
(1-(6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)pyrazi...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(F)cc2)c(n1)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C24H24Cl2FN5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-6-17(27)7-4-15)22(31-20)18-8-5-16(25)13-19(18)26/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.75n/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