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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'mathews' and Initial = 'j'   
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))
BDBM50383388
PNG
(CHEMBL2030738)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
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0.400n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399518
PNG
(CHEMBL2180214)
Show SMILES Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccccc1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24Cl2N6O2S/c29-19-10-12-21(13-11-19)36-26(23-8-4-5-9-24(23)30)33-25-27(31-18-32-28(25)36)35-16-14-20(15-17-35)34-39(37,38)22-6-2-1-3-7-22/h1-13,18,20,34H,14-17H2
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1.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399523
PNG
(CHEMBL2180205)
Show SMILES CC(C)(C)OC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N6O2/c1-27(2,3)37-26(36)32-18-12-14-34(15-13-18)24-22-25(31-16-30-24)35(19-10-8-17(28)9-11-19)23(33-22)20-6-4-5-7-21(20)29/h4-11,16,18H,12-15H2,1-3H3,(H,32,36)
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1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399534
PNG
(CHEMBL2180215)
Show SMILES NC(=O)C1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H24Cl2N6O/c30-20-10-12-21(13-11-20)37-25(22-8-4-5-9-23(22)31)35-24-26(33-18-34-27(24)37)36-16-14-29(15-17-36,28(32)38)19-6-2-1-3-7-19/h1-13,18H,14-17H2,(H2,32,38)
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1.79n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383402
PNG
(CHEMBL2030754)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H29Cl3N4O3/c1-16-23(25(35)31-20-11-13-33(14-12-20)26(36)37-27(2,3)4)32-34(22-10-9-19(29)15-21(22)30)24(16)17-5-7-18(28)8-6-17/h5-10,15,20H,11-14H2,1-4H3,(H,31,35)
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2.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383388
PNG
(CHEMBL2030738)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
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3.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383388
PNG
(CHEMBL2030738)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(C(N)=O)c1ccccc1
Show InChI InChI=1S/C29H25Cl3N4O2/c1-18-25(27(37)35-15-13-29(14-16-35,28(33)38)20-5-3-2-4-6-20)34-36(24-12-11-22(31)17-23(24)32)26(18)19-7-9-21(30)10-8-19/h2-12,17H,13-16H2,1H3,(H2,33,38)
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3.44n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
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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6.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399531
PNG
(CHEMBL2180218)
Show SMILES CS(=O)(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N6O2S/c1-40(38,39)35-29(20-7-3-2-4-8-20)15-17-36(18-16-29)27-25-28(33-19-32-27)37(22-13-11-21(30)12-14-22)26(34-25)23-9-5-6-10-24(23)31/h2-14,19,35H,15-18H2,1H3
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6.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399533
PNG
(CHEMBL2180216 | US9187480, tert-butyl N-{1-[8-(2-c...)
Show SMILES CC(C)(C)OC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C33H32Cl2N6O2/c1-32(2,3)43-31(42)39-33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)
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7.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383386
PNG
(CHEMBL2029362)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H27Cl3N4O3S/c1-19-26(28(37)35-16-14-29(15-17-35,34-40(2,38)39)21-6-4-3-5-7-21)33-36(25-13-12-23(31)18-24(25)32)27(19)20-8-10-22(30)11-9-20/h3-13,18,34H,14-17H2,1-2H3
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7.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383399
PNG
(CHEMBL2030751)
Show SMILES CCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C32H32Cl3N5O2/c1-3-17-36-31(42)37-32(23-7-5-4-6-8-23)15-18-39(19-16-32)30(41)28-21(2)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)20-26(27)35/h4-14,20H,3,15-19H2,1-2H3,(H2,36,37,42)
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7.60n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383387
PNG
(CHEMBL2030765)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-10-19(11-13-31)29-24(33)22-15(2)23(16-4-6-17(26)7-5-16)32(30-22)21-9-8-18(27)14-20(21)28/h4-9,14,19H,3,10-13H2,1-2H3,(H,29,33)
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9.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399532
PNG
(CHEMBL2180217)
Show SMILES NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C28H24Cl2N6/c29-20-10-12-21(13-11-20)36-25(22-8-4-5-9-23(22)30)34-24-26(32-18-33-27(24)36)35-16-14-28(31,15-17-35)19-6-2-1-3-7-19/h1-13,18H,14-17,31H2
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11n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383413
PNG
(CHEMBL2030933)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23Cl3N4O3S/c1-14-21(23(31)27-18-4-3-11-29(13-18)34(2,32)33)28-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,27,31)/t18-/m1/s1
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11.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383397
PNG
(CHEMBL2030749)
Show SMILES CC(C)NC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C32H32Cl3N5O2/c1-20(2)36-31(42)37-32(23-7-5-4-6-8-23)15-17-39(18-16-32)30(41)28-21(3)29(22-9-11-24(33)12-10-22)40(38-28)27-14-13-25(34)19-26(27)35/h4-14,19-20H,15-18H2,1-3H3,(H2,36,37,42)
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13.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399522
PNG
(CHEMBL2180207)
Show SMILES CC(C)NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27Cl2N7O/c1-16(2)31-26(36)32-18-11-13-34(14-12-18)24-22-25(30-15-29-24)35(19-9-7-17(27)8-10-19)23(33-22)20-5-3-4-6-21(20)28/h3-10,15-16,18H,11-14H2,1-2H3,(H2,31,32,36)
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14n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383404
PNG
(CHEMBL2030759)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C27H30Cl3N5O2/c1-16-23(25(36)31-20-11-13-34(14-12-20)26(37)32-27(2,3)4)33-35(22-10-9-19(29)15-21(22)30)24(16)17-5-7-18(28)8-6-17/h5-10,15,20H,11-14H2,1-4H3,(H,31,36)(H,32,37)
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14.7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383398
PNG
(CHEMBL2030750)
Show SMILES CCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41)
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15n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383401
PNG
(CHEMBL2030753)
Show SMILES CCCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C33H34Cl3N5O2/c1-3-4-18-37-32(43)38-33(24-8-6-5-7-9-24)16-19-40(20-17-33)31(42)29-22(2)30(23-10-12-25(34)13-11-23)41(39-29)28-15-14-26(35)21-27(28)36/h5-15,21H,3-4,16-20H2,1-2H3,(H2,37,38,43)
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15.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383417
PNG
(CHEMBL2030939)
Show SMILES CCOC(=O)N1CCC[C@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-4-5-19(14-31)29-24(33)22-15(2)23(16-6-8-17(26)9-7-16)32(30-22)21-11-10-18(27)13-20(21)28/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,29,33)/t19-/m1/s1
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17.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383412
PNG
(CHEMBL2030930)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C27H29Cl3N4O3/c1-16-23(25(35)31-20-6-5-13-33(15-20)26(36)37-27(2,3)4)32-34(22-12-11-19(29)14-21(22)30)24(16)17-7-9-18(28)10-8-17/h7-12,14,20H,5-6,13,15H2,1-4H3,(H,31,35)/t20-/m1/s1
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22.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399525
PNG
(CHEMBL2180226 | US9187480, tert-butyl 4-{[8-(2-chl...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H28Cl2N6O2/c1-27(2,3)37-26(36)34-14-12-18(13-15-34)32-23-22-25(31-16-30-23)35(19-10-8-17(28)9-11-19)24(33-22)20-6-4-5-7-21(20)29/h4-11,16,18H,12-15H2,1-3H3,(H,30,31,32)
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24n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399520
PNG
(CHEMBL2180209)
Show SMILES CCCCNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H29Cl2N7O/c1-2-3-14-30-27(37)33-19-12-15-35(16-13-19)25-23-26(32-17-31-25)36(20-10-8-18(28)9-11-20)24(34-23)21-6-4-5-7-22(21)29/h4-11,17,19H,2-3,12-16H2,1H3,(H2,30,33,37)
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25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399530
PNG
(CHEMBL2180219 | US9187480, 3-tert-butyl-1-{1-[8-(2...)
Show SMILES CC(C)(C)NC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C33H33Cl2N7O/c1-32(2,3)39-31(43)40-33(22-9-5-4-6-10-22)17-19-41(20-18-33)29-27-30(37-21-36-29)42(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H2,39,40,43)
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25.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399521
PNG
(CHEMBL2180208)
Show SMILES CCCNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27Cl2N7O/c1-2-13-29-26(36)32-18-11-14-34(15-12-18)24-22-25(31-16-30-24)35(19-9-7-17(27)8-10-19)23(33-22)20-5-3-4-6-21(20)28/h3-10,16,18H,2,11-15H2,1H3,(H2,29,32,36)
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28n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50399519
PNG
(CHEMBL2180211)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22Cl2N6O2S/c1-34(32,33)29-16-10-12-30(13-11-16)22-20-23(27-14-26-22)31(17-8-6-15(24)7-9-17)21(28-20)18-4-2-3-5-19(18)25/h2-9,14,16,29H,10-13H2,1H3
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29n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383396
PNG
(CHEMBL2030748)
Show SMILES CCCCCCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C35H38Cl3N5O2/c1-3-4-5-9-20-39-34(45)40-35(26-10-7-6-8-11-26)18-21-42(22-19-35)33(44)31-24(2)32(25-12-14-27(36)15-13-25)43(41-31)30-17-16-28(37)23-29(30)38/h6-8,10-17,23H,3-5,9,18-22H2,1-2H3,(H2,39,40,45)
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38.8n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383408
PNG
(CHEMBL2030768)
Show SMILES CC(=O)N1CCC[C@@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C24H23Cl3N4O2/c1-14-22(24(33)28-19-4-3-11-30(13-19)15(2)32)29-31(21-10-9-18(26)12-20(21)27)23(14)16-5-7-17(25)8-6-16/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,28,33)/t19-/m0/s1
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39.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50383386
PNG
(CHEMBL2029362)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NS(C)(=O)=O)c1ccccc1
Show InChI InChI=1S/C29H27Cl3N4O3S/c1-19-26(28(37)35-16-14-29(15-17-35,34-40(2,38)39)21-6-4-3-5-7-21)33-36(25-13-12-23(31)18-24(25)32)27(19)20-8-10-22(30)11-9-20/h3-13,18,34H,14-17H2,1-2H3
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41n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383390
PNG
(CHEMBL2030740)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NC(=O)OC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H33Cl3N4O3/c1-21-28(38-40(27-15-14-25(35)20-26(27)36)29(21)22-10-12-24(34)13-11-22)30(41)39-18-16-33(17-19-39,23-8-6-5-7-9-23)37-31(42)43-32(2,3)4/h5-15,20H,16-19H2,1-4H3,(H,37,42)
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42.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383393
PNG
(CHEMBL2030744)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NC(=O)NCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H32Cl3N5O2/c1-24-32(42-44(31-17-16-29(38)22-30(31)39)33(24)26-12-14-28(37)15-13-26)34(45)43-20-18-36(19-21-43,27-10-6-3-7-11-27)41-35(46)40-23-25-8-4-2-5-9-25/h2-17,22H,18-21,23H2,1H3,(H2,40,41,46)
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43n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383392
PNG
(CHEMBL2030743)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(CC1)(NC(=O)NC(C)(C)C)c1ccccc1
Show InChI InChI=1S/C33H34Cl3N5O2/c1-21-28(39-41(27-15-14-25(35)20-26(27)36)29(21)22-10-12-24(34)13-11-22)30(42)40-18-16-33(17-19-40,23-8-6-5-7-9-23)38-31(43)37-32(2,3)4/h5-15,20H,16-19H2,1-4H3,(H2,37,38,43)
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47.1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383391
PNG
(CHEMBL2030742)
Show SMILES CC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C30H27Cl3N4O2/c1-19-27(29(39)36-16-14-30(15-17-36,34-20(2)38)22-6-4-3-5-7-22)35-37(26-13-12-24(32)18-25(26)33)28(19)21-8-10-23(31)11-9-21/h3-13,18H,14-17H2,1-2H3,(H,34,38)
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62.6n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383403
PNG
(CHEMBL2030756)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N4O2/c1-14-22(24(33)28-19-9-11-30(12-10-19)15(2)32)29-31(21-8-7-18(26)13-20(21)27)23(14)16-3-5-17(25)6-4-16/h3-8,13,19H,9-12H2,1-2H3,(H,28,33)
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65.3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383411
PNG
(CHEMBL2030929)
Show SMILES CCOC(=O)N1CCC[C@@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C25H25Cl3N4O3/c1-3-35-25(34)31-12-4-5-19(14-31)29-24(33)22-15(2)23(16-6-8-17(26)9-7-16)32(30-22)21-11-10-18(27)13-20(21)28/h6-11,13,19H,3-5,12,14H2,1-2H3,(H,29,33)/t19-/m0/s1
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65.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383409
PNG
(CHEMBL2030769)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H23Cl3N4O3S/c1-14-21(23(31)27-18-4-3-11-29(13-18)34(2,32)33)28-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,27,31)/t18-/m0/s1
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77.9n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM86719
PNG
(MCL-145)
Show SMILES O=C(Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1)\C=C\C(=O)Oc1ccc2C[C@H]3C4CCCC[C@@]4(CCN3CC3CCC3)c2c1 |THB:45:44:36:50.34.33,18:17:9:23.7.6|
Show InChI InChI=1S/C46H58N2O4/c49-43(51-35-15-13-33-25-41-37-11-1-3-19-45(37,39(33)27-35)21-23-47(41)29-31-7-5-8-31)17-18-44(50)52-36-16-14-34-26-42-38-12-2-4-20-46(38,40(34)28-36)22-24-48(42)30-32-9-6-10-32/h13-18,27-28,31-32,37-38,41-42H,1-12,19-26,29-30H2/b18-17+/t37?,38?,41-,42-,45-,46-/m0/s1
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78n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 821-7 (2005)


Article DOI: 10.1124/jpet.105.084343
BindingDB Entry DOI: 10.7270/Q22Z144Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383389
PNG
(CHEMBL2030739)
Show SMILES CCNC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C25H26Cl3N5O2/c1-3-30-25(24(29)35)10-12-32(13-11-25)23(34)21-15(2)22(16-4-6-17(26)7-5-16)33(31-21)20-9-8-18(27)14-19(20)28/h4-9,14,30H,3,10-13H2,1-2H3,(H2,29,35)
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78.4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM86718
PNG
(MCL-101)
Show SMILES Oc1ccc2CC3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |TLB:16:15:7:21.4.5,22:21:7:15.13.14|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20?,21+/m0/s1
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79n/an/an/an/an/an/an/an/a



University of Rochester

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 821-7 (2005)


Article DOI: 10.1124/jpet.105.084343
BindingDB Entry DOI: 10.7270/Q22Z144Q
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383406
PNG
(CHEMBL2030762)
Show SMILES CC(C)NC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl3N5O2/c1-15(2)30-26(36)33-12-10-20(11-13-33)31-25(35)23-16(3)24(17-4-6-18(27)7-5-17)34(32-23)22-9-8-19(28)14-21(22)29/h4-9,14-15,20H,10-13H2,1-3H3,(H,30,36)(H,31,35)
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86n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383414
PNG
(CHEMBL2030935)
Show SMILES CC(C)NC(=O)N1CCC[C@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl3N5O2/c1-15(2)30-26(36)33-12-4-5-20(14-33)31-25(35)23-16(3)24(17-6-8-18(27)9-7-17)34(32-23)22-11-10-19(28)13-21(22)29/h6-11,13,15,20H,4-5,12,14H2,1-3H3,(H,30,36)(H,31,35)/t20-/m1/s1
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97n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383384
PNG
(CHEMBL2030741)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)N1CCC(N)(CC1)c1ccccc1
Show InChI InChI=1S/C28H25Cl3N4O/c1-18-25(27(36)34-15-13-28(32,14-16-34)20-5-3-2-4-6-20)33-35(24-12-11-22(30)17-23(24)31)26(18)19-7-9-21(29)10-8-19/h2-12,17H,13-16,32H2,1H3
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104n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383416
PNG
(CHEMBL2030937)
Show SMILES CCCCNC(=O)N1CCC[C@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C27H30Cl3N5O2/c1-3-4-13-31-27(37)34-14-5-6-21(16-34)32-26(36)24-17(2)25(18-7-9-19(28)10-8-18)35(33-24)23-12-11-20(29)15-22(23)30/h7-12,15,21H,3-6,13-14,16H2,1-2H3,(H,31,37)(H,32,36)/t21-/m1/s1
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125n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383415
PNG
(CHEMBL2030936)
Show SMILES CCCNC(=O)N1CCC[C@H](C1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C26H28Cl3N5O2/c1-3-12-30-26(36)33-13-4-5-20(15-33)31-25(35)23-16(2)24(17-6-8-18(27)9-7-17)34(32-23)22-11-10-19(28)14-21(22)29/h6-11,14,20H,3-5,12-13,15H2,1-2H3,(H,30,36)(H,31,35)/t20-/m1/s1
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134n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50399521
PNG
(CHEMBL2180208)
Show SMILES CCCNC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27Cl2N7O/c1-2-13-29-26(36)32-18-11-14-34(15-12-18)24-22-25(31-16-30-24)35(19-9-7-17(27)8-10-19)23(33-22)20-5-3-4-6-21(20)28/h3-10,16,18H,2,11-15H2,1H3,(H2,29,32,36)
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153n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 55: 10022-32 (2012)


Article DOI: 10.1021/jm301181r
BindingDB Entry DOI: 10.7270/Q2GB256X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383405
PNG
(CHEMBL2030761)
Show SMILES CCNC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl3N5O2/c1-3-29-25(35)32-12-10-19(11-13-32)30-24(34)22-15(2)23(16-4-6-17(26)7-5-16)33(31-22)21-9-8-18(27)14-20(21)28/h4-9,14,19H,3,10-13H2,1-2H3,(H,29,35)(H,30,34)
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165n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50383398
PNG
(CHEMBL2030750)
Show SMILES CCNC(=O)NC1(CCN(CC1)C(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C31H30Cl3N5O2/c1-3-35-30(41)36-31(22-7-5-4-6-8-22)15-17-38(18-16-31)29(40)27-20(2)28(21-9-11-23(32)12-10-21)39(37-27)26-14-13-24(33)19-25(26)34/h4-14,19H,3,15-18H2,1-2H3,(H2,35,36,41)
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182n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from CB2 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383407
PNG
(CHEMBL2030763)
Show SMILES CCCNC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl3N5O2/c1-3-12-30-26(36)33-13-10-20(11-14-33)31-25(35)23-16(2)24(17-4-6-18(27)7-5-17)34(32-23)22-9-8-19(28)15-21(22)29/h4-9,15,20H,3,10-14H2,1-2H3,(H,30,36)(H,31,35)
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184n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50383385
PNG
(CHEMBL2030764)
Show SMILES CCCCNC(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H30Cl3N5O2/c1-3-4-13-31-27(37)34-14-11-21(12-15-34)32-26(36)24-17(2)25(18-5-7-19(28)8-6-18)35(33-24)23-10-9-20(29)16-22(23)30/h5-10,16,21H,3-4,11-15H2,1-2H3,(H,31,37)(H,32,36)
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187n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 55: 2820-34 (2012)


Article DOI: 10.1021/jm201731z
BindingDB Entry DOI: 10.7270/Q2P2704Z
More data for this
Ligand-Target Pair
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