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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'oamppound39connor' and Initial = 're'   
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))
BDBM29061
PNG
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)
Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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0.600 -53.5n/an/a 1n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
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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PubMed
0.650 -53.3n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29070
PNG
(lactam-based compound, 12i)
Show SMILES CC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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0.700 -53.1n/an/a 0.800n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27337
PNG
(1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...)
Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
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0.700 -53.1n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
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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PubMed
0.900 -52.5n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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1 -52.2n/an/a 0.820n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29073
PNG
(ether-based lactam, 19b)
Show SMILES CC(C)N1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H19Cl2N3O2/c1-13(2)25-11-12-28-20-18(21(25)27)24-26(17-6-4-3-5-16(17)23)19(20)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
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1.30 -51.6n/an/a 4.80n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29076
PNG
(ether-based lactam, 19e)
Show SMILES CCC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2F2N3O2/c1-2-22(25,26)13-28-11-12-31-20-18(21(28)30)27-29(17-6-4-3-5-16(17)24)19(20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3
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1.40 -51.4n/an/a 0.700n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29069
PNG
(lactam-based compound, 12h)
Show SMILES FC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H14Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-8H,9-11H2
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1.70 -50.9n/an/a 3.10n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
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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1.80 -50.7n/an/a 1.60n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29074
PNG
(ether-based lactam, 19c)
Show SMILES FC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H14Cl2F3N3O2/c21-13-7-5-12(6-8-13)17-18-16(26-28(17)15-4-2-1-3-14(15)22)19(29)27(9-10-30-18)11-20(23,24)25/h1-8H,9-11H2
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1.90 -50.6n/an/a 1.5n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27341
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2
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2.10 -50.4n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27341
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(piperidin...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl
Show InChI InChI=1S/C22H19Cl2N5/c23-15-8-10-16(11-9-15)29-20(17-6-2-3-7-18(17)24)27-19-21(25-14-26-22(19)29)28-12-4-1-5-13-28/h2-3,6-11,14H,1,4-5,12-13H2
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2.30 -50.1n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29064
PNG
(lactam-based compound, 12c)
Show SMILES CC(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
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2.5 -49.9n/an/a 5.5n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29065
PNG
(lactam-based compound, 12d)
Show SMILES CC(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C22H21Cl2N3O/c1-14(2)13-26-12-11-17-20(22(26)28)25-27(19-6-4-3-5-18(19)24)21(17)15-7-9-16(23)10-8-15/h3-10,14H,11-13H2,1-2H3
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2.5 -49.9n/an/a 9.80n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27343
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
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2.80 -49.6n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27337
PNG
(1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-...)
Show SMILES CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
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2.80 -49.6n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27338
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piper...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N6/c23-14-4-7-16(8-5-14)31-21(17-9-6-15(24)12-18(17)25)28-19-20(26-13-27-22(19)31)29-30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11H2,(H,26,27,29)
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3.60 -49.0n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27340
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piper...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3N5/c23-14-4-7-16(8-5-14)30-20(17-9-6-15(24)12-18(17)25)28-19-21(26-13-27-22(19)30)29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2
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4.20 -48.6n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29066
PNG
(lactam-based compound, 12e)
Show SMILES CC(C)(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C22H21Cl2N3O/c1-22(2,3)26-13-12-16-19(21(26)28)25-27(18-7-5-4-6-17(18)24)20(16)14-8-10-15(23)11-9-14/h4-11H,12-13H2,1-3H3
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4.70 -48.3n/an/a 11n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29063
PNG
(lactam-based compound, 12b)
Show SMILES CCN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
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4.70 -48.3n/an/a 25n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27342
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-met...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19Cl3N6/c1-29-8-10-30(11-9-29)21-19-22(27-13-26-21)31(16-5-2-14(23)3-6-16)20(28-19)17-7-4-15(24)12-18(17)25/h2-7,12-13H,8-11H2,1H3
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5.20 -48.1n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27342
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(4-met...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H19Cl3N6/c1-29-8-10-30(11-9-29)21-19-22(27-13-26-21)31(16-5-2-14(23)3-6-16)20(28-19)17-7-4-15(24)12-18(17)25/h2-7,12-13H,8-11H2,1H3
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5.90 -47.8n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27340
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-6-(piper...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H18Cl3N5/c23-14-4-7-16(8-5-14)30-20(17-9-6-15(24)12-18(17)25)28-19-21(26-13-27-22(19)30)29-10-2-1-3-11-29/h4-9,12-13H,1-3,10-11H2
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6.10 -47.7n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27339
PNG
(9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(NC3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)
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7.10 -47.3n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM27338
PNG
(9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-N-(piper...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H19Cl3N6/c23-14-4-7-16(8-5-14)31-21(17-9-6-15(24)12-18(17)25)28-19-20(26-13-27-22(19)31)29-30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11H2,(H,26,27,29)
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7.40 -47.2n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29068
PNG
(lactam-based compound, 12g)
Show SMILES COC(C)(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C23H23Cl2N3O2/c1-23(2,30-3)14-27-13-12-17-20(22(27)29)26-28(19-7-5-4-6-18(19)25)21(17)15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3
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11 -46.2n/an/a 13n/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27339
PNG
(9-(4-chlorophenyl)-N-cyclohexyl-8-(2,4-dichlorophe...)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(NC3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl3N5/c24-14-6-9-17(10-7-14)31-22(18-11-8-15(25)12-19(18)26)30-20-21(27-13-28-23(20)31)29-16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,27,28,29)
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12 -46.0n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM27343
PNG
(8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-(4-methylp...)
Show SMILES CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H20Cl2N6/c1-28-10-12-29(13-11-28)21-19-22(26-14-25-21)30(16-8-6-15(23)7-9-16)20(27-19)17-4-2-3-5-18(17)24/h2-9,14H,10-13H2,1H3
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24 -44.2n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 234-7 (2009)


Article DOI: 10.1021/jm8012932
BindingDB Entry DOI: 10.7270/Q2CN7276
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29067
PNG
(lactam-based compound, 12f)
Show SMILES Clc1ccc(cc1)-c1c2CCN(C3CCCC3)C(=O)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C23H21Cl2N3O/c24-16-11-9-15(10-12-16)22-18-13-14-27(17-5-1-2-6-17)23(29)21(18)26-28(22)20-8-4-3-7-19(20)25/h3-4,7-12,17H,1-2,5-6,13-14H2
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24 -44.2n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29071
PNG
(amine-based bicyclic analogue, 13)
Show SMILES CC(F)(F)CN1CCc2c(C1)nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C21H19Cl2F2N3/c1-21(24,25)13-27-11-10-16-18(12-27)26-28(19-5-3-2-4-17(19)23)20(16)14-6-8-15(22)9-7-14/h2-9H,10-13H2,1H3
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30 -43.7n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29062
PNG
(lactam-based compound, 12a)
Show SMILES Clc1ccc(cc1)-c1c2CCNC(=O)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C18H13Cl2N3O/c19-12-7-5-11(6-8-12)17-13-9-10-21-18(24)16(13)22-23(17)15-4-2-1-3-14(15)20/h1-8H,9-10H2,(H,21,24)
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61 -41.9n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29072
PNG
(ether-based lactam, 19a)
Show SMILES Clc1ccc(cc1)-c1c2OCCNC(=O)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C18H13Cl2N3O2/c19-12-7-5-11(6-8-12)16-17-15(18(24)21-9-10-25-17)22-23(16)14-4-2-1-3-13(14)20/h1-8H,9-10H2,(H,21,24)
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83 -41.1n/an/an/an/an/a7.430



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29068
PNG
(lactam-based compound, 12g)
Show SMILES COC(C)(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C23H23Cl2N3O2/c1-23(2,30-3)14-27-13-12-17-20(22(27)29)26-28(19-7-5-4-6-18(19)25)21(17)15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3
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162n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(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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1.57E+3n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29065
PNG
(lactam-based compound, 12d)
Show SMILES CC(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C22H21Cl2N3O/c1-14(2)13-26-12-11-17-20(22(26)28)25-27(19-6-4-3-5-18(19)24)21(17)15-7-9-16(23)10-8-15/h3-10,14H,11-13H2,1-2H3
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1.78E+3n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29066
PNG
(lactam-based compound, 12e)
Show SMILES CC(C)(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C22H21Cl2N3O/c1-22(2,3)26-13-12-16-19(21(26)28)25-27(18-7-5-4-6-17(18)24)20(16)14-8-10-15(23)11-9-14/h4-11H,12-13H2,1-3H3
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6.81E+3n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29070
PNG
(lactam-based compound, 12i)
Show SMILES CC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O/c1-21(24,25)12-27-11-10-15-18(20(27)29)26-28(17-5-3-2-4-16(17)23)19(15)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29069
PNG
(lactam-based compound, 12h)
Show SMILES FC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H14Cl2F3N3O/c21-13-7-5-12(6-8-13)18-14-9-10-27(11-20(23,24)25)19(29)17(14)26-28(18)16-4-2-1-3-15(16)22/h1-8H,9-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29073
PNG
(ether-based lactam, 19b)
Show SMILES CC(C)N1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H19Cl2N3O2/c1-13(2)25-11-12-28-20-18(21(25)27)24-26(17-6-4-3-5-16(17)23)19(20)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29075
PNG
(PF-514273)
Show SMILES CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H17Cl2F2N3O2/c1-21(24,25)12-27-10-11-30-19-17(20(27)29)26-28(16-5-3-2-4-15(16)23)18(19)13-6-8-14(22)9-7-13/h2-9H,10-12H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29076
PNG
(ether-based lactam, 19e)
Show SMILES CCC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2F2N3O2/c1-2-22(25,26)13-28-11-12-31-20-18(21(28)30)27-29(17-6-4-3-5-16(17)24)19(20)14-7-9-15(23)10-8-14/h3-10H,2,11-13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



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Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29064
PNG
(lactam-based compound, 12c)
Show SMILES CC(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C21H19Cl2N3O/c1-13(2)25-12-11-16-19(21(25)27)24-26(18-6-4-3-5-17(18)23)20(16)14-7-9-15(22)10-8-14/h3-10,13H,11-12H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29061
PNG
(CHEMBL201602 | pyrazolopyrimidinone-based antagoni...)
Show SMILES Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
Show InChI InChI=1S/C20H13Cl2F3N4O/c1-11-26-16-17(19(30)28(11)10-20(23,24)25)27-29(15-5-3-2-4-14(15)22)18(16)12-6-8-13(21)9-7-12/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29074
PNG
(ether-based lactam, 19c)
Show SMILES FC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H14Cl2F3N3O2/c21-13-7-5-12(6-8-13)17-18-16(26-28(17)15-4-2-1-3-14(15)22)19(29)27(9-10-30-18)11-20(23,24)25/h1-8H,9-11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29063
PNG
(lactam-based compound, 12b)
Show SMILES CCN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
Show InChI InChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
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2.34E+4n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...


J Med Chem 52: 2652-5 (2009)


Article DOI: 10.1021/jm900255t
BindingDB Entry DOI: 10.7270/Q2F47MGD
More data for this
Ligand-Target Pair