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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 = 'BDBM50332250'   
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))
BDBM50332250
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid cyclop...)
Show SMILES O=C(CCC(=O)C=Cc1ccc2ccccc2c1)NC1CC1 |w:7.7|
Show InChI InChI=1S/C19H19NO2/c21-18(11-12-19(22)20-17-8-9-17)10-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-7,10,13,17H,8-9,11-12H2,(H,20,22)
PDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332250
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid cyclop...)
Show SMILES O=C(CCC(=O)C=Cc1ccc2ccccc2c1)NC1CC1 |w:7.7|
Show InChI InChI=1S/C19H19NO2/c21-18(11-12-19(22)20-17-8-9-17)10-6-14-5-7-15-3-1-2-4-16(15)13-14/h1-7,10,13,17H,8-9,11-12H2,(H,20,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


Bioorg Med Chem 18: 8463-77 (2010)


Article DOI: 10.1016/j.bmc.2010.10.050
BindingDB Entry DOI: 10.7270/Q2319W4V
More data for this
Ligand-Target Pair