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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 = 'BDBM50172899'   
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))
BDBM50172899
PNG
(3,4-diarylpyrazoline derivative | CHEMBL195050)
Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:10.10,c:15|
Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)
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30n/an/an/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor


Bioorg Med Chem Lett 23: 4751-60 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172899
PNG
(3,4-diarylpyrazoline derivative | CHEMBL195050)
Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:10.10,c:15|
Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)
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30n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Displacement of specific CP-55940 binding in CHO cells stably transfected with human cannabinoid receptor 1


Bioorg Med Chem Lett 15: 4794-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.054
BindingDB Entry DOI: 10.7270/Q2W959ZZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172899
PNG
(3,4-diarylpyrazoline derivative | CHEMBL195050)
Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:10.10,c:15|
Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)
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30n/an/an/an/an/an/an/an/a



Radboud University Nijmegen Medical Centre

Curated by ChEMBL


Assay Description
Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay


Drug Metab Dispos 39: 1294-302 (2011)


Article DOI: 10.1124/dmd.110.037812
BindingDB Entry DOI: 10.7270/Q2MK6FMS
More data for this
Ligand-Target Pair