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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 = 'BDBM50207265'   
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))
BDBM50207265
PNG
(CHEMBL3914550)
Show SMILES O=C(c1cccc2ccccc12)n1c(nc2ccccc12)C1CCC1
Show InChI InChI=1S/C22H18N2O/c25-22(18-12-6-8-15-7-1-2-11-17(15)18)24-20-14-4-3-13-19(20)23-21(24)16-9-5-10-16/h1-4,6-8,11-14,16H,5,9-10H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50207265
PNG
(CHEMBL3914550)
Show SMILES O=C(c1cccc2ccccc12)n1c(nc2ccccc12)C1CCC1
Show InChI InChI=1S/C22H18N2O/c25-22(18-12-6-8-15-7-1-2-11-17(15)18)24-20-14-4-3-13-19(20)23-21(24)16-9-5-10-16/h1-4,6-8,11-14,16H,5,9-10H2
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair