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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50277339'   
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))
BDBM50277339
PNG
(2,2,3,3-tetramethyl-N-(4-methyl-3-(morpholinosulfo...)
Show SMILES Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H28N2O4S/c1-13-6-7-14(20-17(22)16-18(2,3)19(16,4)5)12-15(13)26(23,24)21-8-10-25-11-9-21/h6-7,12,16H,8-11H2,1-5H3,(H,20,22)
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PC cid
PC sid
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3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry


Bioorg Med Chem Lett 19: 309-13 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277339
PNG
(2,2,3,3-tetramethyl-N-(4-methyl-3-(morpholinosulfo...)
Show SMILES Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H28N2O4S/c1-13-6-7-14(20-17(22)16-18(2,3)19(16,4)5)12-15(13)26(23,24)21-8-10-25-11-9-21/h6-7,12,16H,8-11H2,1-5H3,(H,20,22)
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PC sid
UniChem
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP 55940 from human CB1 receptor in cell free system


Eur J Med Chem 46: 547-55 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.034
BindingDB Entry DOI: 10.7270/Q2CF9QCJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50277339
PNG
(2,2,3,3-tetramethyl-N-(4-methyl-3-(morpholinosulfo...)
Show SMILES Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H28N2O4S/c1-13-6-7-14(20-17(22)16-18(2,3)19(16,4)5)12-15(13)26(23,24)21-8-10-25-11-9-21/h6-7,12,16H,8-11H2,1-5H3,(H,20,22)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor


Bioorg Med Chem Lett 20: 387-91 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.062
BindingDB Entry DOI: 10.7270/Q27P8ZGK
More data for this
Ligand-Target Pair