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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 = 'BDBM50251130'   
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))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 62.8n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHOK1 cells by luciferase assay


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50251130
PNG
(4-((4-Bromophenyl)(2-chlorophenyl)methyl)-Ncyclohe...)
Show SMILES Clc1ccccc1C(N1CCN(CC1)C(=O)NC1CCCCC1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H29BrClN3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Central Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in Sprague-Dawley rat cerebella membrane


Bioorg Med Chem 16: 4035-51 (2008)


Article DOI: 10.1016/j.bmc.2008.01.023
BindingDB Entry DOI: 10.7270/Q2B56JH2
More data for this
Ligand-Target Pair