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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 = 'BDBM50305397'   
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))
BDBM50305397
PNG
(CHEMBL589651 | N-(4-bromobenzyl)-1-(2-chlorophenyl...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C25H17BrCl2N4O/c26-18-9-5-16(6-10-18)15-30-25(33)23-20(13-14-29)24(17-7-11-19(27)12-8-17)32(31-23)22-4-2-1-3-21(22)28/h1-12H,13,15H2,(H,30,33)
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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305397
PNG
(CHEMBL589651 | N-(4-bromobenzyl)-1-(2-chlorophenyl...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C25H17BrCl2N4O/c26-18-9-5-16(6-10-18)15-30-25(33)23-20(13-14-29)24(17-7-11-19(27)12-8-17)32(31-23)22-4-2-1-3-21(22)28/h1-12H,13,15H2,(H,30,33)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair