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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 = 'BDBM50140231'   
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))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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13n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
BindingDB Entry DOI: 10.7270/Q2V988HJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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56n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation spectrometry


Bioorg Med Chem Lett 21: 5711-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.032
BindingDB Entry DOI: 10.7270/Q2V988HJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50140231
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C22H15Cl3N4O/c1-13-20(22(30)27-17-8-10-26-11-9-17)28-29(19-7-6-16(24)12-18(19)25)21(13)14-2-4-15(23)5-3-14/h2-12H,1H3,(H,26,27,30)
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85n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards human Cannabinoid receptor 1


Bioorg Med Chem Lett 14: 1151-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.068
BindingDB Entry DOI: 10.7270/Q2MW2GKB
More data for this
Ligand-Target Pair