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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50040983'   
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


(Rattus norvegicus (rat))
BDBM50040983
PNG
(CHEMBL3354962)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C18H19F2N3O/c1-18(2,3)21-17(24)15-12-7-9-6-11(9)16(12)23(22-15)14-5-4-10(19)8-13(14)20/h4-5,8-9,11H,6-7H2,1-3H3,(H,21,24)/t9-,11-/m0/s1
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PC sid
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Article
PubMed
n/an/an/an/a 8.90E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040983
PNG
(CHEMBL3354962)
Show SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C18H19F2N3O/c1-18(2,3)21-17(24)15-12-7-9-6-11(9)16(12)23(22-15)14-5-4-10(19)8-13(14)20/h4-5,8-9,11H,6-7H2,1-3H3,(H,21,24)/t9-,11-/m0/s1
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GoogleScholar
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant CB1 receptor expressed in CHOK1 cells assessed as cAMP accumulation by HTRF method


Bioorg Med Chem Lett 25: 322-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.040
BindingDB Entry DOI: 10.7270/Q21J9CDS
More data for this
Ligand-Target Pair