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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 = 'BDBM50312602'   
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))
BDBM50312602
PNG
(CHEMBL1091814 | N-cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Oc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C30H33Cl2N3O2/c31-23-13-16-27(28(32)21-23)29(22-11-14-26(15-12-22)37-25-9-5-2-6-10-25)34-17-19-35(20-18-34)30(36)33-24-7-3-1-4-8-24/h2,5-6,9-16,21,24,29H,1,3-4,7-8,17-20H2,(H,33,36)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50312602
PNG
(CHEMBL1091814 | N-cyclohexyl-4-[(2,4-dichloropheny...)
Show SMILES Clc1ccc(C(N2CCN(CC2)C(=O)NC2CCCCC2)c2ccc(Oc3ccccc3)cc2)c(Cl)c1
Show InChI InChI=1S/C30H33Cl2N3O2/c31-23-13-16-27(28(32)21-23)29(22-11-14-26(15-12-22)37-25-9-5-2-6-10-25)34-17-19-35(20-18-34)30(36)33-24-7-3-1-4-8-24/h2,5-6,9-16,21,24,29H,1,3-4,7-8,17-20H2,(H,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHO cells coexpressing Galpha15/16 assessed as inhibition of CP55940-induced Ca2+ ...


Eur J Med Chem 45: 1133-9 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.018
BindingDB Entry DOI: 10.7270/Q2K937P0
More data for this
Ligand-Target Pair