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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50040970'   
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))
BDBM50040970
PNG
(CHEMBL3354975 | US11214548, Compound 269)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1cccnc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-13-7-10-6-12(10)15(13)21(20-14)11-4-3-5-18-8-11/h3-5,8,10,12,22H,6-7,9H2,1-2H3,(H,19,23)/t10-,12-/m1/s1
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PC cid
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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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50040970
PNG
(CHEMBL3354975 | US11214548, Compound 269)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1cccnc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-13-7-10-6-12(10)15(13)21(20-14)11-4-3-5-18-8-11/h3-5,8,10,12,22H,6-7,9H2,1-2H3,(H,19,23)/t10-,12-/m1/s1
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US Patent
n/an/an/an/a 809n/an/an/an/a


TBA

Assay Description
Table D: Radioligand binding assays for human CB2 receptors were performed using two different agonist radioligands, [3H]CP55,940 and [3H]WIN55,212-2...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BR8WC1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50040970
PNG
(CHEMBL3354975 | US11214548, Compound 269)
Show SMILES [H][C@]12C[C@@]1([H])c1c(C2)c(nn1-c1cccnc1)C(=O)NC(C)(C)CO |r|
Show InChI InChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-13-7-10-6-12(10)15(13)21(20-14)11-4-3-5-18-8-11/h3-5,8,10,12,22H,6-7,9H2,1-2H3,(H,19,23)/t10-,12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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