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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 = 'BDBM50332253'   
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))
BDBM50332253
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid(2-hydr...)
Show SMILES C[C@H](CO)NC(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |r,w:12.12|
Show InChI InChI=1S/C19H21NO3/c1-14(13-21)20-19(23)11-10-18(22)9-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-9,12,14,21H,10-11,13H2,1H3,(H,20,23)/t14-/m1/s1
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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))
BDBM50332253
PNG
((E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid(2-hydr...)
Show SMILES C[C@H](CO)NC(=O)CCC(=O)C=Cc1ccc2ccccc2c1 |r,w:12.12|
Show InChI InChI=1S/C19H21NO3/c1-14(13-21)20-19(23)11-10-18(22)9-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-9,12,14,21H,10-11,13H2,1H3,(H,20,23)/t14-/m1/s1
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