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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 = 'BDBM50230379'   
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))
BDBM50230379
PNG
(CHEMBL4085754)
Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C1CC1 |c:19|
Show InChI InChI=1S/C26H23Cl2N5O2S/c27-20-10-8-18(9-11-20)24-23(17-4-2-1-3-5-17)16-33(31-24)26(30-25(29)19-6-7-19)32-36(34,35)22-14-12-21(28)13-15-22/h1-5,8-15,19,23H,6-7,16H2,(H2,29,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/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))
BDBM50230379
PNG
(CHEMBL4085754)
Show SMILES N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C1CC1 |c:19|
Show InChI InChI=1S/C26H23Cl2N5O2S/c27-20-10-8-18(9-11-20)24-23(17-4-2-1-3-5-17)16-33(31-24)26(30-25(29)19-6-7-19)32-36(34,35)22-14-12-21(28)13-15-22/h1-5,8-15,19,23H,6-7,16H2,(H2,29,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 241n/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