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PubMed code 19683918

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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))
BDBM50301747
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H24Cl2N4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301739
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301747
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H24Cl2N4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3
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1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301739
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)c1ccccc1
Show InChI InChI=1S/C28H23Cl3N4/c1-18-26(24-16-34(17-32-24)28(2,3)20-7-5-4-6-8-20)33-35(25-14-13-22(30)15-23(25)31)27(18)19-9-11-21(29)12-10-19/h4-17H,1-3H3
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301749
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C25H18Cl2N4/c1-17-24(22-15-30(16-28-22)20-7-3-2-4-8-20)29-31(23-10-6-5-9-21(23)27)25(17)18-11-13-19(26)14-12-18/h2-16H,1H3
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3.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301746
PNG
(5-(4-chlorophenyl)-3-(1-cyclohexyl-1H-imidazol-4-y...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C1CCCCC1
Show InChI InChI=1S/C25H23Cl3N4/c1-16-24(22-14-31(15-29-22)20-5-3-2-4-6-20)30-32(23-12-11-19(27)13-21(23)28)25(16)17-7-9-18(26)10-8-17/h7-15,20H,2-6H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301743
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(1-iso...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-13(2)28-11-19(26-12-28)21-14(3)22(15-4-6-16(23)7-5-15)29(27-21)20-9-8-17(24)10-18(20)25/h4-13H,1-3H3
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4.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301745
PNG
(5-(4-chlorophenyl)-3-(1-cyclobutyl-1H-imidazol-4-y...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C1CCC1
Show InChI InChI=1S/C23H19Cl3N4/c1-14-22(20-12-29(13-27-20)18-3-2-4-18)28-30(21-10-9-17(25)11-19(21)26)23(14)15-5-7-16(24)8-6-15/h5-13,18H,2-4H2,1H3
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301751
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(5-iso...)
Show SMILES CC(C)c1c[nH]c(n1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-12(2)18-11-26-22(27-18)20-13(3)21(14-4-6-15(23)7-5-14)29(28-20)19-9-8-16(24)10-17(19)25/h4-12H,1-3H3,(H,26,27)
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5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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5.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301738
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(1-iso...)
Show SMILES CC(C)n1cnc(c1C)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl3N4/c1-13(2)29-12-27-22(15(29)4)21-14(3)23(16-5-7-17(24)8-6-16)30(28-21)20-10-9-18(25)11-19(20)26/h5-13H,1-4H3
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301752
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(2-iso...)
Show SMILES CC(C)c1nc(c[nH]1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-12(2)22-26-11-18(27-22)20-13(3)21(14-4-6-15(23)7-5-14)29(28-20)19-9-8-16(24)10-17(19)25/h4-12H,1-3H3,(H,26,27)
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7.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301748
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-cyclopr...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C1CC1
Show InChI InChI=1S/C22H18Cl2N4/c1-14-21(19-12-27(13-25-19)17-10-11-17)26-28(20-5-3-2-4-18(20)24)22(14)15-6-8-16(23)9-7-15/h2-9,12-13,17H,10-11H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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7.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301748
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-cyclopr...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)C1CC1
Show InChI InChI=1S/C22H18Cl2N4/c1-14-21(19-12-27(13-25-19)17-10-11-17)26-28(20-5-3-2-4-18(20)24)22(14)15-6-8-16(23)9-7-15/h2-9,12-13,17H,10-11H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301746
PNG
(5-(4-chlorophenyl)-3-(1-cyclohexyl-1H-imidazol-4-y...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C1CCCCC1
Show InChI InChI=1S/C25H23Cl3N4/c1-16-24(22-14-31(15-29-22)20-5-3-2-4-6-20)30-32(23-12-11-19(27)13-21(23)28)25(16)17-7-9-18(26)10-8-17/h7-15,20H,2-6H2,1H3
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8.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301738
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(1-iso...)
Show SMILES CC(C)n1cnc(c1C)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl3N4/c1-13(2)29-12-27-22(15(29)4)21-14(3)23(16-5-7-17(24)8-6-16)30(28-21)20-10-9-18(25)11-19(20)26/h5-13H,1-4H3
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301743
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(1-iso...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-13(2)28-11-19(26-12-28)21-14(3)22(15-4-6-16(23)7-5-15)29(27-21)20-9-8-17(24)10-18(20)25/h4-13H,1-3H3
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50301752
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(2-iso...)
Show SMILES CC(C)c1nc(c[nH]1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-12(2)22-26-11-18(27-22)20-13(3)21(14-4-6-15(23)7-5-14)29(28-20)19-9-8-16(24)10-17(19)25/h4-12H,1-3H3,(H,26,27)
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9.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor transfected in CHO-K1cells by GTPgamma[35S] binding assay


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301751
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(5-iso...)
Show SMILES CC(C)c1c[nH]c(n1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N4/c1-12(2)18-11-26-22(27-18)20-13(3)21(14-4-6-15(23)7-5-14)29(28-20)19-9-8-16(24)10-17(19)25/h4-12H,1-3H3,(H,26,27)
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9.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301745
PNG
(5-(4-chlorophenyl)-3-(1-cyclobutyl-1H-imidazol-4-y...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C1CCC1
Show InChI InChI=1S/C23H19Cl3N4/c1-14-22(20-12-29(13-27-20)18-3-2-4-18)28-30(21-10-9-17(25)11-19(21)26)23(14)15-5-7-16(24)8-6-15/h5-13,18H,2-4H2,1H3
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301740
PNG
(3-(1-benzyl-1H-imidazol-4-yl)-5-(4-chlorophenyl)-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(Cc2ccccc2)cn1
Show InChI InChI=1S/C26H19Cl3N4/c1-17-25(23-15-32(16-30-23)14-18-5-3-2-4-6-18)31-33(24-12-11-21(28)13-22(24)29)26(17)19-7-9-20(27)10-8-19/h2-13,15-16H,14H2,1H3
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301744
PNG
(3-(1-tert-butyl-1H-imidazol-4-yl)-5-(4-chloropheny...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C(C)(C)C
Show InChI InChI=1S/C23H21Cl3N4/c1-14-21(19-12-29(13-27-19)23(2,3)4)28-30(20-10-9-17(25)11-18(20)26)22(14)15-5-7-16(24)8-6-15/h5-13H,1-4H3
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301736
PNG
((4-(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-me...)
Show SMILES CC(C)n1cnc(c1CO)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl3N4O/c1-13(2)29-12-27-22(20(29)11-31)21-14(3)23(15-4-6-16(24)7-5-15)30(28-21)19-9-8-17(25)10-18(19)26/h4-10,12-13,31H,11H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301749
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methyl-3-(...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)-c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C25H18Cl2N4/c1-17-24(22-15-30(16-28-22)20-7-3-2-4-8-20)29-31(23-10-6-5-9-21(23)27)25(17)18-11-13-19(26)14-12-18/h2-16H,1H3
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301742
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(1-eth...)
Show SMILES CCn1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H17Cl3N4/c1-3-27-11-18(25-12-27)20-13(2)21(14-4-6-15(22)7-5-14)28(26-20)19-9-8-16(23)10-17(19)24/h4-12H,3H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301741
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)-c1cn(cn1)C1CCOCC1
Show InChI InChI=1S/C24H21Cl3N4O/c1-15-23(21-13-30(14-28-21)19-8-10-32-11-9-19)29-31(22-7-6-18(26)12-20(22)27)24(15)16-2-4-17(25)5-3-16/h2-7,12-14,19H,8-11H2,1H3
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301750
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(5-isoprop...)
Show SMILES CC(C)c1[nH]cnc1-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-13(2)19-21(26-12-25-19)20-14(3)22(15-8-10-16(23)11-9-15)28(27-20)18-7-5-4-6-17(18)24/h4-13H,1-3H3,(H,25,26)
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31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50301737
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-(5-eth...)
Show SMILES CCc1c(ncn1C(C)C)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N4/c1-5-20-23(28-13-30(20)14(2)3)22-15(4)24(16-6-8-17(25)9-7-16)31(29-22)21-11-10-18(26)12-19(21)27/h6-14H,5H2,1-4H3
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38n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716A from rat brain CB1 receptor


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50301735
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(1-isoprop...)
Show SMILES CC(C)n1cnc(c1)-c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C22H20Cl2N4/c1-14(2)27-12-19(25-13-27)21-15(3)22(16-8-10-17(23)11-9-16)28(26-21)20-7-5-4-6-18(20)24/h4-14H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 5351-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.130
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%