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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'adinolfi' and Initial = 'b'   
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))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
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)
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0.600n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258604
PNG
(CHEMBL467896 | N-Cycloheptyl-1-(p-fluorobenzyl)-1,...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C23H24FN3O2/c24-18-11-9-16(10-12-18)15-27-21-17(6-5-13-25-21)14-20(23(27)29)22(28)26-19-7-3-1-2-4-8-19/h5-6,9-14,19H,1-4,7-8,15H2,(H,26,28)
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0.700n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258654
PNG
(CHEMBL466047 | cis-N-(4-Methylcyclohexyl)-1-(p-flu...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19+
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0.700n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258652
PNG
(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)
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0.900n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258570
PNG
(CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)
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1.90n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258527
PNG
(CHEMBL508336 | N-Cyclohexyl-1-(p-fluorobenzyl)-1,8...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27)
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2.20n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258605
PNG
(CHEMBL467475 | N-Cycloheptyl-1-(2-morpholin-4-ylet...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c27-21(24-18-7-3-1-2-4-8-18)19-16-17-6-5-9-23-20(17)26(22(19)28)11-10-25-12-14-29-15-13-25/h5-6,9,16,18H,1-4,7-8,10-15H2,(H,24,27)
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3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258608
PNG
(CHEMBL467681 | cis-N-(4-Methylcyclohexyl)-1-benzyl...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19+
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5.80n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258606
PNG
(CHEMBL467476 | N-(4-Methylcyclohexyl)-1-benzyl-1,8...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)
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7.80n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258525
PNG
(CHEMBL466623 | N-cyclohexyl-1-(2-morpholin-4-yleth...)
Show SMILES O=C(NC1CCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C21H28N4O3/c26-20(23-17-6-2-1-3-7-17)18-15-16-5-4-8-22-19(16)25(21(18)27)10-9-24-11-13-28-14-12-24/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,23,26)
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7.90n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258653
PNG
(CHEMBL512063 | trans-N-(4-Methylcyclohexyl)-1-(p-f...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19-
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9n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258604
PNG
(CHEMBL467896 | N-Cycloheptyl-1-(p-fluorobenzyl)-1,...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C23H24FN3O2/c24-18-11-9-16(10-12-18)15-27-21-17(6-5-13-25-21)14-20(23(27)29)22(28)26-19-7-3-1-2-4-8-19/h5-6,9-14,19H,1-4,7-8,15H2,(H,26,28)
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9.60n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258605
PNG
(CHEMBL467475 | N-Cycloheptyl-1-(2-morpholin-4-ylet...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c27-21(24-18-7-3-1-2-4-8-18)19-16-17-6-5-9-23-20(17)26(22(19)28)11-10-25-12-14-29-15-13-25/h5-6,9,16,18H,1-4,7-8,10-15H2,(H,24,27)
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18n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258572
PNG
(CHEMBL511253 | N-Cycloheptyl-1-benzyl-1,8-naphthyr...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c27-22(25-19-12-6-1-2-7-13-19)20-15-18-11-8-14-24-21(18)26(23(20)28)16-17-9-4-3-5-10-17/h3-5,8-11,14-15,19H,1-2,6-7,12-13,16H2,(H,25,27)
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22n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258526
PNG
(CHEMBL446993 | N-Cyclohexyl-1-benzyl-1,8-naphthyri...)
Show SMILES O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H23N3O2/c26-21(24-18-11-5-2-6-12-18)19-14-17-10-7-13-23-20(17)25(22(19)27)15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,24,26)
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31n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258607
PNG
(CHEMBL467680 | trans-N-(4-Methylcyclohexyl)-1-benz...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19-
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39.8n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258527
PNG
(CHEMBL508336 | N-Cyclohexyl-1-(p-fluorobenzyl)-1,8...)
Show SMILES Fc1ccc(Cn2c3ncccc3cc(C(=O)NC3CCCCC3)c2=O)cc1
Show InChI InChI=1S/C22H22FN3O2/c23-17-10-8-15(9-11-17)14-26-20-16(5-4-12-24-20)13-19(22(26)28)21(27)25-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14H2,(H,25,27)
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56n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258571
PNG
(CHEMBL466429 | N-(4-Fluorophenylethyl)-1-benzyl-1,...)
Show SMILES Fc1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H20FN3O2/c25-20-10-8-17(9-11-20)12-14-27-23(29)21-15-19-7-4-13-26-22(19)28(24(21)30)16-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16H2,(H,27,29)
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69.8n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM50258569
PNG
(CHEMBL513298 | N-Cyclohexyl-1-butyl-1,8-naphthyrid...)
Show SMILES CCCCn1c2ncccc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C19H25N3O2/c1-2-3-12-22-17-14(8-7-11-20-17)13-16(19(22)24)18(23)21-15-9-5-4-6-10-15/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H,21,23)
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70n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258652
PNG
(CHEMBL466651 | N-(4-Methylcyclohexyl)-1-(p-fluorob...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)
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200n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258654
PNG
(CHEMBL466047 | cis-N-(4-Methylcyclohexyl)-1-(p-flu...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19+
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200n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258653
PNG
(CHEMBL512063 | trans-N-(4-Methylcyclohexyl)-1-(p-f...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19-
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300n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
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)
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437n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258525
PNG
(CHEMBL466623 | N-cyclohexyl-1-(2-morpholin-4-yleth...)
Show SMILES O=C(NC1CCCCC1)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C21H28N4O3/c26-20(23-17-6-2-1-3-7-17)18-15-16-5-4-8-22-19(16)25(21(18)27)10-9-24-11-13-28-14-12-24/h4-5,8,15,17H,1-3,6-7,9-14H2,(H,23,26)
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560n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258526
PNG
(CHEMBL446993 | N-Cyclohexyl-1-benzyl-1,8-naphthyri...)
Show SMILES O=C(NC1CCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C22H23N3O2/c26-21(24-18-11-5-2-6-12-18)19-14-17-10-7-13-23-20(17)25(22(19)27)15-16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,24,26)
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560n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50180036
PNG
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)
Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
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677n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258572
PNG
(CHEMBL511253 | N-Cycloheptyl-1-benzyl-1,8-naphthyr...)
Show SMILES O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c27-22(25-19-12-6-1-2-7-13-19)20-15-18-11-8-14-24-21(18)26(23(20)28)16-17-9-4-3-5-10-17/h3-5,8-11,14-15,19H,1-2,6-7,12-13,16H2,(H,25,27)
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960n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258570
PNG
(CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O
Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)
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1.00E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258608
PNG
(CHEMBL467681 | cis-N-(4-Methylcyclohexyl)-1-benzyl...)
Show SMILES C[C@H]1CC[C@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19+
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1.52E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258606
PNG
(CHEMBL467476 | N-(4-Methylcyclohexyl)-1-benzyl-1,8...)
Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)
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1.60E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258607
PNG
(CHEMBL467680 | trans-N-(4-Methylcyclohexyl)-1-benz...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C23H25N3O2/c1-16-9-11-19(12-10-16)25-22(27)20-14-18-8-5-13-24-21(18)26(23(20)28)15-17-6-3-2-4-7-17/h2-8,13-14,16,19H,9-12,15H2,1H3,(H,25,27)/t16-,19-
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5.26E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258569
PNG
(CHEMBL513298 | N-Cyclohexyl-1-butyl-1,8-naphthyrid...)
Show SMILES CCCCn1c2ncccc2cc(C(=O)NC2CCCCC2)c1=O
Show InChI InChI=1S/C19H25N3O2/c1-2-3-12-22-17-14(8-7-11-20-17)13-16(19(22)24)18(23)21-15-9-5-4-6-10-15/h7-8,11,13,15H,2-6,9-10,12H2,1H3,(H,21,23)
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5.60E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50258571
PNG
(CHEMBL466429 | N-(4-Fluorophenylethyl)-1-benzyl-1,...)
Show SMILES Fc1ccc(CCNC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H20FN3O2/c25-20-10-8-17(9-11-20)12-14-27-23(29)21-15-19-7-4-13-26-22(19)28(24(21)30)16-18-5-2-1-3-6-18/h1-11,13,15H,12,14,16H2,(H,27,29)
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6.95E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells


J Med Chem 52: 3644-51 (2009)


Article DOI: 10.1021/jm801563d
BindingDB Entry DOI: 10.7270/Q2X0680K
More data for this
Ligand-Target Pair