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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 = 'BDBM50040994'   
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))
BDBM50040994
PNG
(CHEMBL3354949)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)c1ccccn1 |r|
Show InChI InChI=1S/C22H20F2N4O/c1-22(2,18-5-3-4-8-25-18)26-21(29)19-15-10-12-9-14(12)20(15)28(27-19)17-7-6-13(23)11-16(17)24/h3-8,11-12,14H,9-10H2,1-2H3,(H,26,29)/t12-,14-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 43n/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))
BDBM50040994
PNG
(CHEMBL3354949)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1ccc(F)cc1F)C(=O)NC(C)(C)c1ccccn1 |r|
Show InChI InChI=1S/C22H20F2N4O/c1-22(2,18-5-3-4-8-25-18)26-21(29)19-15-10-12-9-14(12)20(15)28(27-19)17-7-6-13(23)11-16(17)24/h3-8,11-12,14H,9-10H2,1-2H3,(H,26,29)/t12-,14-/m1/s1
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 43n/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