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PubMed code 18293908

Compile data set for download or QSAR
Found 74 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 2


(Homo sapiens (Human))
BDBM21266
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;3.95,6.49,;5.34,7.17,;5.44,8.7,;4.16,9.56,;2.78,8.89,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-17-7-5-4-6-8-17)27-29(23)18-11-12-19(24)20(25)13-18/h9-13,17H,4-8H2,1-3H3,(H,26,30)
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1.30n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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1.70n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21263
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-15-7-3-2-4-8-15)25-27(21(14)26-11-5-6-12-26)16-9-10-17(22)18(23)13-16/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)
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5.60 -47.9n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
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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12n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21266
PNG
(N-cyclohexyl-1-(3,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;3.95,6.49,;5.34,7.17,;5.44,8.7,;4.16,9.56,;2.78,8.89,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-17-7-5-4-6-8-17)27-29(23)18-11-12-19(24)20(25)13-18/h9-13,17H,4-8H2,1-3H3,(H,26,30)
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14 -45.6n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21261
PNG
(1-(3,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)15-7-8-16(21)17(22)13-15/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
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20n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21277
PNG
(N-cyclohexyl-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-met...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-5.14,6.02,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-4.66,.62,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C23H25Cl3N4O/c1-13-9-10-14(2)29(13)23-15(3)20(22(31)27-17-7-5-4-6-8-17)28-30(23)21-18(25)11-16(24)12-19(21)26/h9-12,17H,4-8H2,1-3H3,(H,27,31)
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28n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21259
PNG
(1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;3.74,7.74,;4.28,6.3,;5.8,6.04,;6.78,7.23,;8.3,6.98,;6.24,8.67,;7.22,9.86,;4.72,8.93,)|
Show InChI InChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(25)11-20(21)28)23(33)29-12-16-6-8-18(26)19(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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28 -43.8n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21264
PNG
(1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.03,6.61,;5.34,7.42,;5.3,8.95,;3.95,9.69,;2.64,8.89,)|
Show InChI InChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)17-9-10-18(23)19(24)13-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
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28 -43.8n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21264
PNG
(1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.03,6.61,;5.34,7.42,;5.3,8.95,;3.95,9.69,;2.64,8.89,)|
Show InChI InChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)17-9-10-18(23)19(24)13-17/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
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29n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21261
PNG
(1-(3,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)15-7-8-16(21)17(22)13-15/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
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30 -43.7n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21262
PNG
(1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(23)18(25)10-14)28-30(22(13)29-8-2-3-9-29)15-5-7-17(24)19(26)11-15/h2-11H,12H2,1H3,(H,27,31)
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35 -43.3n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21273
PNG
(N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C23H26F2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
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35 -43.3n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21272
PNG
(N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.77,6.35,;6.31,6.38,;7.05,7.73,;8.59,7.76,;6.25,9.05,;7,10.4,;4.71,9.02,)|
Show InChI InChI=1S/C24H20Cl2F2N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(27)11-20(21)28)23(33)29-12-16-6-8-18(25)19(26)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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35 -43.3n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21256
PNG
(1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(24)17(25)10-14)28-30(22(13)29-8-2-3-9-29)19-7-5-15(23)11-18(19)26/h2-11H,12H2,1H3,(H,27,31)
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37 -43.1n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21258
PNG
(1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.54,9.24,;2.41,10.51,;3.94,10.4,;4.61,9.01,;3.74,7.74,)|
Show InChI InChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)19-10-9-17(23)13-18(19)24/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
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38 -43.1n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21260
PNG
(N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.52,9.23,;2.37,10.52,;3.91,10.42,;4.59,9.04,;3.74,7.76,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
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42 -42.8n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21257
PNG
(N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-16-7-3-2-4-8-16)25-27(21(14)26-11-5-6-12-26)18-10-9-15(22)13-17(18)23/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,24,28)
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56 -42.1n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21257
PNG
(N-cyclohexyl-1-(2,4-dichlorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22Cl2N4O/c1-14-19(20(28)24-16-7-3-2-4-8-16)25-27(21(14)26-11-5-6-12-26)18-10-9-15(22)13-17(18)23/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,24,28)
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64n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21270
PNG
(N-cyclohexyl-1-(2,4-difluorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22F2N4O/c1-14-19(20(28)24-16-7-3-2-4-8-16)25-27(21(14)26-11-5-6-12-26)18-10-9-15(22)13-17(18)23/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,24,28)
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65n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21260
PNG
(N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.52,9.23,;2.37,10.52,;3.91,10.42,;4.59,9.04,;3.74,7.76,)|
Show InChI InChI=1S/C23H26Cl2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
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87n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21251
PNG
(1-(4-chlorophenyl)-N-(cyclohexylmethyl)-4-methyl-5...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C22H25ClN4O/c1-16-20(21(28)24-15-17-7-3-2-4-8-17)25-27(19-11-9-18(23)10-12-19)22(16)26-13-5-6-14-26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)
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110 -40.4n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21276
PNG
(5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-(piperi...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.14,6.02,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-4.66,.62,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C22H24Cl3N5O/c1-13-7-8-14(2)29(13)22-15(3)19(21(31)27-28-9-5-4-6-10-28)26-30(22)20-17(24)11-16(23)12-18(20)25/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,27,31)
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110n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21250
PNG
(1-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-5-(...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)22-26(17-9-7-16(21)8-10-17)20(15)24-11-5-6-12-24/h5-12H,2-4,13-14H2,1H3,(H,23,27)
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110 -40.4n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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112n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21262
PNG
(1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(23)18(25)10-14)28-30(22(13)29-8-2-3-9-29)15-5-7-17(24)19(26)11-15/h2-11H,12H2,1H3,(H,27,31)
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150n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21265
PNG
(1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.22,7.35,;5.06,6.06,;6.6,6.15,;7.29,7.52,;8.83,7.61,;6.45,8.81,;7.14,10.19,;4.91,8.72,)|
Show InChI InChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)17-7-9-19(26)21(28)11-17)23(33)29-12-16-6-8-18(25)20(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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280 -38.0n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21275
PNG
(N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrr...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.81,6.38,;6.35,6.46,;7.05,7.83,;8.58,7.92,;6.21,9.12,;6.9,10.5,;4.67,9.04,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-19(21(32)28-11-13-4-5-15(24)16(25)8-13)29-31(22(12)30-6-2-3-7-30)20-17(26)9-14(23)10-18(20)27/h2-10H,11H2,1H3,(H,28,32)
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280n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21247
PNG
(4-cyano-N-[(3,4-dichlorophenyl)methyl]-1-phenyl-5-...)
Show SMILES Clc1ccc(CNC(=O)c2nn(c(c2C#N)-n2cccc2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H15Cl2N5O/c23-18-9-8-15(12-19(18)24)14-26-21(30)20-17(13-25)22(28-10-4-5-11-28)29(27-20)16-6-2-1-3-7-16/h1-12H,14H2,(H,26,30)
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280 -38.0n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21249
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1-n1cccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C20H21ClN4O/c21-15-8-10-17(11-9-15)25-19(24-12-4-5-13-24)14-18(23-25)20(26)22-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,22,26)
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280 -38.0n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21269
PNG
(N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophen...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H16Cl2F2N4O/c1-13-20(21(31)27-12-14-4-6-16(23)17(24)10-14)28-30(22(13)29-8-2-3-9-29)19-7-5-15(25)11-18(19)26/h2-11H,12H2,1H3,(H,27,31)
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390n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21251
PNG
(1-(4-chlorophenyl)-N-(cyclohexylmethyl)-4-methyl-5...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C22H25ClN4O/c1-16-20(21(28)24-15-17-7-3-2-4-8-17)25-27(19-11-9-18(23)10-12-19)22(16)26-13-5-6-14-26/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,28)
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390n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21277
PNG
(N-cyclohexyl-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-met...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-5.14,6.02,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-4.66,.62,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C23H25Cl3N4O/c1-13-9-10-14(2)29(13)23-15(3)20(22(31)27-17-7-5-4-6-8-17)28-30(23)21-18(25)11-16(24)12-19(21)26/h9-12,17H,4-8H2,1-3H3,(H,27,31)
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390n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21256
PNG
(1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(24)17(25)10-14)28-30(22(13)29-8-2-3-9-29)19-7-5-15(23)11-18(19)26/h2-11H,12H2,1H3,(H,27,31)
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510n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21273
PNG
(N-cyclohexyl-1-(2,4-difluorophenyl)-5-(2,5-dimethy...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C23H26F2N4O/c1-14-9-10-15(2)28(14)23-16(3)21(22(30)26-18-7-5-4-6-8-18)27-29(23)20-12-11-17(24)13-19(20)25/h9-13,18H,4-8H2,1-3H3,(H,26,30)
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570n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
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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790n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21258
PNG
(1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.54,9.24,;2.41,10.51,;3.94,10.4,;4.61,9.01,;3.74,7.74,)|
Show InChI InChI=1S/C22H25Cl2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)19-10-9-17(23)13-18(19)24/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
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980n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21265
PNG
(1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.22,7.35,;5.06,6.06,;6.6,6.15,;7.29,7.52,;8.83,7.61,;6.45,8.81,;7.14,10.19,;4.91,8.72,)|
Show InChI InChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)17-7-9-19(26)21(28)11-17)23(33)29-12-16-6-8-18(25)20(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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1.37E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21270
PNG
(N-cyclohexyl-1-(2,4-difluorophenyl)-4-methyl-5-(1H...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCC1
Show InChI InChI=1S/C21H22F2N4O/c1-14-19(20(28)24-16-7-3-2-4-8-16)25-27(21(14)26-11-5-6-12-26)18-10-9-15(22)13-17(18)23/h5-6,9-13,16H,2-4,7-8H2,1H3,(H,24,28)
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1.60E+3 -33.6n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21271
PNG
(1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NN1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.06,6.67,;5.34,7.52,;5.24,9.06,;3.86,9.74,;2.57,8.89,)|
Show InChI InChI=1S/C22H25F2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)19-10-9-17(23)13-18(19)24/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
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1.60E+3 -33.6n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21255
PNG
(1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)17-8-7-15(21)13-16(17)22/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
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1.73E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21249
PNG
(1-(4-chlorophenyl)-N-cyclohexyl-5-(1H-pyrrol-1-yl)...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1-n1cccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C20H21ClN4O/c21-15-8-10-17(11-9-15)25-19(24-12-4-5-13-24)14-18(23-25)20(26)22-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,22,26)
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1.75E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21274
PNG
(4-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1-(...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-1.75,1.48,;-3.08,.71,;-4.42,1.48,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C20H20Cl3N5O/c1-13-17(19(29)25-27-9-3-2-4-10-27)24-28(20(13)26-7-5-6-8-26)18-15(22)11-14(21)12-16(18)23/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,29)
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1.80E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21255
PNG
(1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H21Cl2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)17-8-7-15(21)13-16(17)22/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
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1.85E+3 -33.3n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21250
PNG
(1-(4-chlorophenyl)-4-methyl-N-(piperidin-1-yl)-5-(...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)22-26(17-9-7-16(21)8-10-17)20(15)24-11-5-6-12-24/h5-12H,2-4,13-14H2,1H3,(H,23,27)
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2.18E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21267
PNG
(1-(2,4-difluorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H21F2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)17-8-7-15(21)13-16(17)22/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
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2.40E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21269
PNG
(N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophen...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H16Cl2F2N4O/c1-13-20(21(31)27-12-14-4-6-16(23)17(24)10-14)28-30(22(13)29-8-2-3-9-29)19-7-5-15(25)11-18(19)26/h2-11H,12H2,1H3,(H,27,31)
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2.80E+3 -32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21267
PNG
(1-(2,4-difluorophenyl)-4-methyl-N-(piperidin-1-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H21F2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)17-8-7-15(21)13-16(17)22/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)
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2.80E+3 -32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21268
PNG
(1-(2,4-difluorophenyl)-4-methyl-N-(morpholin-4-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCOCC1
Show InChI InChI=1S/C19H19F2N5O2/c1-13-17(18(27)23-25-8-10-28-11-9-25)22-26(19(13)24-6-2-3-7-24)16-5-4-14(20)12-15(16)21/h2-7,12H,8-11H2,1H3,(H,23,27)
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>2.82E+3>-32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21246
PNG
(4-cyano-1-phenyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1...)
Show SMILES O=C(NN1CCCCC1)c1nn(c(c1C#N)-n1cccc1)-c1ccccc1
Show InChI InChI=1S/C20H20N6O/c21-15-17-18(19(27)23-25-13-5-2-6-14-25)22-26(16-9-3-1-4-10-16)20(17)24-11-7-8-12-24/h1,3-4,7-12H,2,5-6,13-14H2,(H,23,27)
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>2.82E+3>-32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21243
PNG
(1-phenyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-...)
Show SMILES O=C(NN1CCCCC1)c1cc(-n2cccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c25-19(21-23-13-5-2-6-14-23)17-15-18(22-11-7-8-12-22)24(20-17)16-9-3-1-4-10-16/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,21,25)
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>2.82E+3>-32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>2.82E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21254
PNG
(1-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-...)
Show SMILES Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17Cl3N4O/c1-14-20(21(30)26-13-15-4-9-18(24)19(25)12-15)22(28-10-2-3-11-28)29(27-14)17-7-5-16(23)6-8-17/h2-12H,13H2,1H3,(H,26,30)
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2.82E+3 -32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21253
PNG
(1-(4-chlorophenyl)-3-methyl-N-(piperidin-1-yl)-5-(...)
Show SMILES Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)20(24-11-5-6-12-24)26(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3,(H,23,27)
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>2.82E+3>-32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21245
PNG
(4-methyl-1-phenyl-N-(piperidin-1-yl)-5-(1H-pyrrol-...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H23N5O/c1-16-18(19(26)22-24-14-6-3-7-15-24)21-25(17-10-4-2-5-11-17)20(16)23-12-8-9-13-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,22,26)
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>2.82E+3>-32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21252
PNG
(1-(4-chlorophenyl)-4-cyano-N-(piperidin-1-yl)-5-(1...)
Show SMILES Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1
Show InChI InChI=1S/C20H19ClN6O/c21-15-6-8-16(9-7-15)27-20(25-10-4-5-11-25)17(14-22)18(23-27)19(28)24-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,24,28)
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2.82E+3 -32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21248
PNG
(1-(4-chlorophenyl)-N-(piperidin-1-yl)-5-(1H-pyrrol...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1-n1cccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-6-8-16(9-7-15)25-18(23-10-4-5-11-23)14-17(21-25)19(26)22-24-12-2-1-3-13-24/h4-11,14H,1-3,12-13H2,(H,22,26)
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2.82E+3 -32.2n/an/an/an/an/a7.430



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21248
PNG
(1-(4-chlorophenyl)-N-(piperidin-1-yl)-5-(1H-pyrrol...)
Show SMILES Clc1ccc(cc1)-n1nc(cc1-n1cccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C19H20ClN5O/c20-15-6-8-16(9-7-15)25-18(23-10-4-5-11-23)14-17(21-25)19(26)22-24-12-2-1-3-13-24/h4-11,14H,1-3,12-13H2,(H,22,26)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21268
PNG
(1-(2,4-difluorophenyl)-4-methyl-N-(morpholin-4-yl)...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCOCC1
Show InChI InChI=1S/C19H19F2N5O2/c1-13-17(18(27)23-25-8-10-28-11-9-25)22-26(19(13)24-6-2-3-7-24)16-5-4-14(20)12-15(16)21/h2-7,12H,8-11H2,1H3,(H,23,27)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21253
PNG
(1-(4-chlorophenyl)-3-methyl-N-(piperidin-1-yl)-5-(...)
Show SMILES Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)20(24-11-5-6-12-24)26(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3,(H,23,27)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21252
PNG
(1-(4-chlorophenyl)-4-cyano-N-(piperidin-1-yl)-5-(1...)
Show SMILES Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1
Show InChI InChI=1S/C20H19ClN6O/c21-15-6-8-16(9-7-15)27-20(25-10-4-5-11-25)17(14-22)18(23-27)19(28)24-26-12-2-1-3-13-26/h4-11H,1-3,12-13H2,(H,24,28)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21246
PNG
(4-cyano-1-phenyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1...)
Show SMILES O=C(NN1CCCCC1)c1nn(c(c1C#N)-n1cccc1)-c1ccccc1
Show InChI InChI=1S/C20H20N6O/c21-15-17-18(19(27)23-25-13-5-2-6-14-25)22-26(16-9-3-1-4-10-16)20(17)24-11-7-8-12-24/h1,3-4,7-12H,2,5-6,13-14H2,(H,23,27)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21274
PNG
(4-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1-(...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-1.75,1.48,;-3.08,.71,;-4.42,1.48,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C20H20Cl3N5O/c1-13-17(19(29)25-27-9-3-2-4-10-27)24-28(20(13)26-7-5-6-8-26)18-15(22)11-14(21)12-16(18)23/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,29)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21276
PNG
(5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-(piperi...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.14,6.02,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-4.66,.62,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
Show InChI InChI=1S/C22H24Cl3N5O/c1-13-7-8-14(2)29(13)22-15(3)19(21(31)27-28-9-5-4-6-10-28)26-30(22)20-17(24)11-16(23)12-18(20)25/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,27,31)
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3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21247
PNG
(4-cyano-N-[(3,4-dichlorophenyl)methyl]-1-phenyl-5-...)
Show SMILES Clc1ccc(CNC(=O)c2nn(c(c2C#N)-n2cccc2)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C22H15Cl2N5O/c23-18-9-8-15(12-19(18)24)14-26-21(30)20-17(13-25)22(28-10-4-5-11-28)29(27-20)16-6-2-1-3-7-16/h1-12H,14H2,(H,26,30)
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3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21271
PNG
(1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NN1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.06,6.67,;5.34,7.52,;5.24,9.06,;3.86,9.74,;2.57,8.89,)|
Show InChI InChI=1S/C22H25F2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)19-10-9-17(23)13-18(19)24/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)
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3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21259
PNG
(1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;3.74,7.74,;4.28,6.3,;5.8,6.04,;6.78,7.23,;8.3,6.98,;6.24,8.67,;7.22,9.86,;4.72,8.93,)|
Show InChI InChI=1S/C24H20Cl4N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(25)11-20(21)28)23(33)29-12-16-6-8-18(26)19(27)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21245
PNG
(4-methyl-1-phenyl-N-(piperidin-1-yl)-5-(1H-pyrrol-...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccccc1)C(=O)NN1CCCCC1
Show InChI InChI=1S/C20H23N5O/c1-16-18(19(26)22-24-14-6-3-7-15-24)21-25(17-10-4-2-5-11-17)20(16)23-12-8-9-13-23/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,22,26)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21243
PNG
(1-phenyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1H-...)
Show SMILES O=C(NN1CCCCC1)c1cc(-n2cccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C19H21N5O/c25-19(21-23-13-5-2-6-14-23)17-15-18(22-11-7-8-12-22)24(20-17)16-9-3-1-4-10-16/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,21,25)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21275
PNG
(N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrr...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.81,6.38,;6.35,6.46,;7.05,7.83,;8.58,7.92,;6.21,9.12,;6.9,10.5,;4.67,9.04,)|
Show InChI InChI=1S/C22H15Cl5N4O/c1-12-19(21(32)28-11-13-4-5-15(24)16(25)8-13)29-31(22(12)30-6-2-3-7-30)20-17(26)9-14(23)10-18(20)27/h2-10H,11H2,1H3,(H,28,32)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21272
PNG
(N-[(3,4-dichlorophenyl)methyl]-1-(2,4-difluorophen...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.77,6.35,;6.31,6.38,;7.05,7.73,;8.59,7.76,;6.25,9.05,;7,10.4,;4.71,9.02,)|
Show InChI InChI=1S/C24H20Cl2F2N4O/c1-13-4-5-14(2)31(13)24-15(3)22(30-32(24)21-9-7-17(27)11-20(21)28)23(33)29-12-16-6-8-18(25)19(26)10-16/h4-11H,12H2,1-3H3,(H,29,33)
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3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21254
PNG
(1-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-...)
Show SMILES Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H17Cl3N4O/c1-14-20(21(30)26-13-15-4-9-18(24)19(25)12-15)22(28-10-2-3-11-28)29(27-14)17-7-5-16(23)6-8-17/h2-12H,13H2,1H3,(H,26,30)
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>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universitāadi Roma



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 51: 1560-76 (2008)


Article DOI: 10.1021/jm070566z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%