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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50195530'   
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


(Mus musculus (Mouse))
BDBM50195530
PNG
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
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11n/an/an/an/an/an/an/an/a



Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysis


Eur J Med Chem 62: 256-69 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.056
BindingDB Entry DOI: 10.7270/Q2TQ62W2
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50195530
PNG
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
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31.3n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50195530
PNG
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
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60n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN55,212-2 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50195530
PNG
(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
PDB

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Article
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85n/an/an/an/an/an/an/an/a



University of North Carolina Greensboro

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 49: 5969-87 (2006)


Article DOI: 10.1021/jm060446b
BindingDB Entry DOI: 10.7270/Q26H4H28
More data for this
Ligand-Target Pair