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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 = 'BDBM50040997'   
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))
BDBM50040997
PNG
(CHEMBL3354946)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 19n/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))
BDBM50040997
PNG
(CHEMBL3354946)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC1(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C23H19F2N3O/c24-15-6-7-19(18(25)12-15)28-21-16-10-13(16)11-17(21)20(27-28)22(29)26-23(8-9-23)14-4-2-1-3-5-14/h1-7,12-13,16H,8-11H2,(H,26,29)/t13-,16-/m1/s1
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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