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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 = 'BDBM50532476'   
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))
BDBM50532476
PNG
(CHEMBL4527391)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32Cl2N2O2/c1-6-7-8-9-12-26(2,3)17-13-22(32)24-23(14-17)33-27(4,5)19-16-30-31(25(19)24)21-11-10-18(28)15-20(21)29/h10-11,13-16,32H,6-9,12H2,1-5H3
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50532476
PNG
(CHEMBL4527391)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2-c3c(cnn3-c3ccc(Cl)cc3Cl)C(C)(C)Oc2c1
Show InChI InChI=1S/C27H32Cl2N2O2/c1-6-7-8-9-12-26(2,3)17-13-22(32)24-23(14-17)33-27(4,5)19-16-30-31(25(19)24)21-11-10-18(28)15-20(21)29/h10-11,13-16,32H,6-9,12H2,1-5H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in HEK293 EBNA cell membranes after 90 mins by liquid scintillation counting method


J Med Chem 59: 6753-6771 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00397
BindingDB Entry DOI: 10.7270/Q2Q243Q0
More data for this
Ligand-Target Pair