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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50305420   
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))
BDBM50305420
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H21Cl2N5O/c24-17-10-8-16(9-11-17)22-18(12-13-26)21(23(31)28-29-14-4-1-5-15-29)27-30(22)20-7-3-2-6-19(20)25/h2-3,6-11H,1,4-5,12,14-15H2,(H,28,31)
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n/an/a 1.80n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305420
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H21Cl2N5O/c24-17-10-8-16(9-11-17)22-18(12-13-26)21(23(31)28-29-14-4-1-5-15-29)27-30(22)20-7-3-2-6-19(20)25/h2-3,6-11H,1,4-5,12,14-15H2,(H,28,31)
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n/an/a 7.5n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305420
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H21Cl2N5O/c24-17-10-8-16(9-11-17)22-18(12-13-26)21(23(31)28-29-14-4-1-5-15-29)27-30(22)20-7-3-2-6-19(20)25/h2-3,6-11H,1,4-5,12,14-15H2,(H,28,31)
PDB

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n/an/a 7.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair