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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 = 'BDBM50230383'   
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


(Mus musculus (Mouse))
BDBM50230383
PNG
(CHEMBL4092420)
Show SMILES C\C(N)=N/C(=N\S(=O)(=O)c1ccc(Br)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:20|
Show InChI InChI=1S/C24H21BrClN5O2S/c1-16(27)28-24(30-34(32,33)21-13-9-19(25)10-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-11-20(26)12-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse brain CB1R expressed in CHOK1 cell membranes


J Med Chem 60: 1126-1141 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01504
BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Mus musculus (Mouse))
BDBM50230383
PNG
(CHEMBL4092420)
Show SMILES C\C(N)=N/C(=N\S(=O)(=O)c1ccc(Br)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |c:20|
Show InChI InChI=1S/C24H21BrClN5O2S/c1-16(27)28-24(30-34(32,33)21-13-9-19(25)10-14-21)31-15-22(17-5-3-2-4-6-17)23(29-31)18-7-11-20(26)12-8-18/h2-14,22H,15H2,1H3,(H2,27,28,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



National Institute on Alcohol Abuse and Alcoholism

Curated by ChEMBL


Assay Description
Inverse agonist at mouse brain CB1R expressed in CHOK1 cell membranes assessed as inhibition of CP55940-stimulated [35S]GTP-gammaS binding measured a...


J Med Chem 60: 1126-1141 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01504
BindingDB Entry DOI: 10.7270/Q2WW7KXF
More data for this
Ligand-Target Pair