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Compile Data Set for Download or QSAR

Found 437 hits with Last Name = 'nørregaard' and Initial = 'pk'   
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))
BDBM50306222
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-f...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H25Cl2FN4O3/c30-20-9-5-18(6-10-20)27-22(17-25(33)37)26(34-36(27)24-4-2-1-3-23(24)31)28(38)35-15-13-29(39,14-16-35)19-7-11-21(32)12-8-19/h1-12,39H,13-17H2,(H2,33,37)
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n/an/a 0.100n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306235
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N4O3/c30-21-12-10-19(11-13-21)27-22(18-25(32)36)26(33-35(27)24-9-5-4-8-23(24)31)28(37)34-16-14-29(38,15-17-34)20-6-2-1-3-7-20/h1-13,38H,14-18H2,(H2,32,36)
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n/an/a 0.110n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306234
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-cyan...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C30H25Cl2N5O2/c31-22-12-10-20(11-13-22)28-23(18-26(34)38)27(35-37(28)25-9-5-4-8-24(25)32)29(39)36-16-14-30(19-33,15-17-36)21-6-2-1-3-7-21/h1-13H,14-18H2,(H2,34,38)
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n/an/a 0.110n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306222
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-f...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C29H25Cl2FN4O3/c30-20-9-5-18(6-10-20)27-22(17-25(33)37)26(34-36(27)24-4-2-1-3-23(24)31)28(38)35-15-13-29(39,14-16-35)19-7-11-21(32)12-8-19/h1-12,39H,13-17H2,(H2,33,37)
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n/an/a 0.190n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 0.200n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1B receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305440
PNG
(2-(3-(5-bromoisoindoline-2-carbonyl)-1-(2-chloroph...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)N1Cc2ccc(Br)cc2C1
Show InChI InChI=1S/C26H17BrCl2N4O/c27-19-8-5-17-14-32(15-18(17)13-19)26(34)24-21(11-12-30)25(16-6-9-20(28)10-7-16)33(31-24)23-4-2-1-3-22(23)29/h1-10,13H,11,14-15H2
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n/an/a 0.220n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306234
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-cyan...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C30H25Cl2N5O2/c31-22-12-10-20(11-13-22)28-23(18-26(34)38)27(35-37(28)25-9-5-4-8-24(25)32)29(39)36-16-14-30(19-33,15-17-36)21-6-2-1-3-7-21/h1-13H,14-18H2,(H2,34,38)
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n/an/a 0.230n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306235
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C29H26Cl2N4O3/c30-21-12-10-19(11-13-21)27-22(18-25(32)36)26(33-35(27)24-9-5-4-8-23(24)31)28(37)34-16-14-29(38,15-17-34)20-6-2-1-3-7-20/h1-13,38H,14-18H2,(H2,32,36)
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n/an/a 0.260n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306225
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C27H24Cl2N6O2/c28-19-8-6-17(7-9-19)25-20(16-23(30)36)24(33-35(25)22-5-2-1-4-21(22)29)27(37)34-14-10-18(11-15-34)26-31-12-3-13-32-26/h1-9,12-13,18H,10-11,14-16H2,(H2,30,36)
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n/an/a 0.300n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306232
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCC1CCN(CC1)C#N
Show InChI InChI=1S/C25H24Cl2N6O2/c26-18-7-5-17(6-8-18)24-19(13-22(29)34)23(31-33(24)21-4-2-1-3-20(21)27)25(35)30-14-16-9-11-32(15-28)12-10-16/h1-8,16H,9-14H2,(H2,29,34)(H,30,35)
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n/an/a 0.340n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in COS7 cells


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306215
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32)
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n/an/a 0.400n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305415
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C27H20Cl2N4O/c28-19-12-9-18(10-13-19)26-21(15-16-30)25(32-33(26)24-8-4-3-7-22(24)29)27(34)31-23-14-11-17-5-1-2-6-20(17)23/h1-10,12-13,23H,11,14-15H2,(H,31,34)
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n/an/a 0.410n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306232
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCC1CCN(CC1)C#N
Show InChI InChI=1S/C25H24Cl2N6O2/c26-18-7-5-17(6-8-18)24-19(13-22(29)34)23(31-33(24)21-4-2-1-3-20(21)27)25(35)30-14-16-9-11-32(15-28)12-10-16/h1-8,16H,9-14H2,(H2,29,34)(H,30,35)
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n/an/a 0.490n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305422
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanometh...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C25H24Cl2N4O/c26-18-13-11-17(12-14-18)24-20(15-16-28)23(25(32)29-19-7-3-1-2-4-8-19)30-31(24)22-10-6-5-9-21(22)27/h5-6,9-14,19H,1-4,7-8,15H2,(H,29,32)
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n/an/a 0.490n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306220
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-f...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ccccc1F
Show InChI InChI=1S/C29H25Cl2FN4O2/c30-20-11-9-19(10-12-20)28-22(17-26(33)37)27(34-36(28)25-8-4-2-6-23(25)31)29(38)35-15-13-18(14-16-35)21-5-1-3-7-24(21)32/h1-12,18H,13-17H2,(H2,33,37)
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n/an/a 0.510n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305403
PNG
(CHEMBL607031 | N-(4-bromo-2-fluorobenzyl)-1-(2-chl...)
Show SMILES Fc1cc(Br)ccc1CNC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C25H16BrCl2FN4O/c26-17-8-5-16(21(29)13-17)14-31-25(34)23-19(11-12-30)24(15-6-9-18(27)10-7-15)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
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n/an/a 0.510n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305423
PNG
(CHEMBL606242 | N-(azepan-1-yl)-1-(2-chlorophenyl)-...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C24H23Cl2N5O/c25-18-11-9-17(10-12-18)23-19(13-14-27)22(24(32)29-30-15-5-1-2-6-16-30)28-31(23)21-8-4-3-7-20(21)26/h3-4,7-12H,1-2,5-6,13,15-16H2,(H,29,32)
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n/an/a 0.520n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306221
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(2-f...)
Show SMILES ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ccccc1F
Show InChI InChI=1S/C29H26Cl2FN5O2/c30-20-11-9-19(10-12-20)28-22(17-26(33)35-39)27(34-37(28)25-8-4-2-6-23(25)31)29(38)36-15-13-18(14-16-36)21-5-1-3-7-24(21)32/h1-12,18,39H,13-17H2,(H2,33,35)
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n/an/a 0.540n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306231
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES Cc1ccncc1NC(=O)c1nn(c(c1CC(N)=O)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2N5O2/c1-14-10-11-28-13-19(14)29-24(33)22-17(12-21(27)32)23(15-6-8-16(25)9-7-15)31(30-22)20-5-3-2-4-18(20)26/h2-11,13H,12H2,1H3,(H2,27,32)(H,29,33)
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n/an/a 0.550n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306226
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyr...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C27H25Cl2N7O/c28-19-8-6-17(7-9-19)25-20(16-23(30)31)24(34-36(25)22-5-2-1-4-21(22)29)27(37)35-14-10-18(11-15-35)26-32-12-3-13-33-26/h1-9,12-13,18H,10-11,14-16H2,(H3,30,31)
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n/an/a 0.590n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 0.610n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 2A receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306232
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCC1CCN(CC1)C#N
Show InChI InChI=1S/C25H24Cl2N6O2/c26-18-7-5-17(6-8-18)24-19(13-22(29)34)23(31-33(24)21-4-2-1-3-20(21)27)25(35)30-14-16-9-11-32(15-28)12-10-16/h1-8,16H,9-14H2,(H2,29,34)(H,30,35)
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n/an/a 0.660n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305404
PNG
(CHEMBL590387 | N-(3-bromo-4-fluorobenzyl)-1-(2-chl...)
Show SMILES Fc1ccc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1Br
Show InChI InChI=1S/C25H16BrCl2FN4O/c26-19-13-15(5-10-21(19)29)14-31-25(34)23-18(11-12-30)24(16-6-8-17(27)9-7-16)33(32-23)22-4-2-1-3-20(22)28/h1-10,13H,11,14H2,(H,31,34)
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n/an/a 0.700n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306225
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C27H24Cl2N6O2/c28-19-8-6-17(7-9-19)25-20(16-23(30)36)24(33-35(25)22-5-2-1-4-21(22)29)27(37)34-14-10-18(11-15-34)26-31-12-3-13-32-26/h1-9,12-13,18H,10-11,14-16H2,(H2,30,36)
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n/an/a 0.710n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306234
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-cyan...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C30H25Cl2N5O2/c31-22-12-10-20(11-13-22)28-23(18-26(34)38)27(35-37(28)25-9-5-4-8-24(25)32)29(39)36-16-14-30(19-33,15-17-36)21-6-2-1-3-7-21/h1-13H,14-18H2,(H2,34,38)
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n/an/a 0.780n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306230
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H20Cl2FN5O/c26-17-9-7-16(8-10-17)24-19(13-22(29)30)23(32-33(24)21-4-2-1-3-20(21)27)25(34)31-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H3,29,30)(H,31,34)
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n/an/a 0.790n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306214
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)31)21(23(32)28-29-12-4-1-5-13-29)27-30(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H2,26,31)(H,28,32)
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n/an/a 0.820n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 0.870n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against histamine H2 receptor


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172441
PNG
((E)-N-{2-[(2-Hydroxy-ethyl)-methyl-amino]-4-methyl...)
Show SMILES CN(CCO)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C23H22F3N3O3/c1-15-13-21(29(2)11-12-30)28-20-9-6-17(14-19(15)20)27-22(31)10-5-16-3-7-18(8-4-16)32-23(24,25)26/h3-10,13-14,30H,11-12H2,1-2H3,(H,27,31)/b10-5+
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n/an/a 0.900n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50177292
PNG
(CHEMBL425407 | N-(4-methyl-2-(2-(piperidin-1-yl)et...)
Show SMILES Cc1cc(NCCN2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C26H29F3N4O3/c1-18-15-24(30-11-14-33-12-3-2-4-13-33)32-23-10-5-19(16-22(18)23)31-25(34)17-35-20-6-8-21(9-7-20)36-26(27,28)29/h5-10,15-16H,2-4,11-14,17H2,1H3,(H,30,32)(H,31,34)
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n/an/a 0.910n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172429
PNG
(CHEMBL370120 | N-(4-Methyl-2-piperidin-1-yl-quinol...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCCCC1
Show InChI InChI=1S/C24H24F3N3O3/c1-16-13-22(30-11-3-2-4-12-30)29-21-10-5-17(14-20(16)21)28-23(31)15-32-18-6-8-19(9-7-18)33-24(25,26)27/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,28,31)
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n/an/a 0.920n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306215
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N6O/c24-16-10-8-15(9-11-16)22-17(14-20(26)27)21(23(32)29-30-12-4-1-5-13-30)28-31(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H3,26,27)(H,29,32)
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n/an/a 0.930n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305432
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(4-f...)
Show SMILES Fc1ccc(cc1)C1CCN(CC1)C(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C29H23Cl2FN4O/c30-22-9-5-21(6-10-22)28-24(13-16-33)27(34-36(28)26-4-2-1-3-25(26)31)29(37)35-17-14-20(15-18-35)19-7-11-23(32)12-8-19/h1-12,20H,13-15,17-18H2
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n/an/a 1n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306229
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorop...)
Show SMILES ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H18Cl2FN5O2/c25-15-7-5-14(6-8-15)23-18(13-21(28)31-34)22(24(33)29-17-11-9-16(27)10-12-17)30-32(23)20-4-2-1-3-19(20)26/h1-12,34H,13H2,(H2,28,31)(H,29,33)
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n/an/a 1.10n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306239
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NC1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C27H27Cl2N5O3/c28-18-9-7-16(8-10-18)25-20(15-23(30)35)24(32-34(25)22-4-2-1-3-21(22)29)26(36)31-19-11-13-33(14-12-19)27(37)17-5-6-17/h1-4,7-10,17,19H,5-6,11-15H2,(H2,30,35)(H,31,36)
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n/an/a 1.20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305427
PNG
(CHEMBL590132 | methyl 2-(1-(2-chlorophenyl)-5-(4-c...)
Show SMILES COC(=O)C(Cc1ccccc1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C28H22Cl2N4O3/c1-37-28(36)23(17-18-7-3-2-4-8-18)32-27(35)25-21(15-16-31)26(19-11-13-20(29)14-12-19)34(33-25)24-10-6-5-9-22(24)30/h2-14,23H,15,17H2,1H3,(H,32,35)
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7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305397
PNG
(CHEMBL589651 | N-(4-bromobenzyl)-1-(2-chlorophenyl...)
Show SMILES Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C25H17BrCl2N4O/c26-18-9-5-16(6-10-18)15-30-25(33)23-20(13-14-29)24(17-7-11-19(27)12-8-17)32(31-23)22-4-2-1-3-21(22)28/h1-12H,13,15H2,(H,30,33)
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n/an/a 1.20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as stimulation of GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306230
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H20Cl2FN5O/c26-17-9-7-16(8-10-17)24-19(13-22(29)30)23(32-33(24)21-4-2-1-3-20(21)27)25(34)31-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H3,29,30)(H,31,34)
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7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306233
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(5-c...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C28H23Cl2N7O2/c29-20-8-6-19(7-9-20)27-21(15-24(32)38)26(34-37(27)23-4-2-1-3-22(23)30)28(39)36-13-11-35(12-14-36)25-10-5-18(16-31)17-33-25/h1-10,17H,11-15H2,(H2,32,38)
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n/an/a 1.20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50305396
PNG
(CHEMBL590136 | N-(4-chlorobenzyl)-1-(2-chloropheny...)
Show SMILES Clc1ccc(CNC(=O)c2nn(c(c2CC#N)-c2ccc(Cl)cc2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H17Cl3N4O/c26-18-9-5-16(6-10-18)15-30-25(33)23-20(13-14-29)24(17-7-11-19(27)12-8-17)32(31-23)22-4-2-1-3-21(22)28/h1-12H,13,15H2,(H,30,33)
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7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 20: 26-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.047
BindingDB Entry DOI: 10.7270/Q28G8KS9
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306216
PNG
(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-(hydrox...)
Show SMILES ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H24Cl2N6O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)29-33)21(23(32)28-30-12-4-1-5-13-30)27-31(22)19-7-3-2-6-18(19)25/h2-3,6-11,33H,1,4-5,12-14H2,(H2,26,29)(H,28,32)
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n/an/a 1.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50177299
PNG
(CHEMBL204952 | N-(4-methyl-2-(2-morpholinoethylami...)
Show SMILES Cc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
Show InChI InChI=1S/C25H27F3N4O4/c1-17-14-23(29-8-9-32-10-12-34-13-11-32)31-22-7-2-18(15-21(17)22)30-24(33)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15H,8-13,16H2,1H3,(H,29,31)(H,30,33)
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n/an/a 1.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50172414
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(2-dimethylamino-eth...)
Show SMILES CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C22H23Cl2N3O3/c1-14-10-22(29-9-8-27(2)3)26-19-6-5-16(12-17(14)19)25-21(28)13-30-20-7-4-15(23)11-18(20)24/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
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n/an/a 1.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against dopamine receptor D3


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306233
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(5-c...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCN(CC1)c1ccc(cn1)C#N
Show InChI InChI=1S/C28H23Cl2N7O2/c29-20-8-6-19(7-9-20)27-21(15-24(32)38)26(34-37(27)23-4-2-1-3-22(23)30)28(39)36-13-11-35(12-14-36)25-10-5-18(16-31)17-33-25/h1-10,17H,11-15H2,(H2,32,38)
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n/an/a 1.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inverse agonist activity at human CB1 receptor expressed in CHO-K1 cells by GTPgammaS binding assay


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306225
PNG
(2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-(pyr...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C27H24Cl2N6O2/c28-19-8-6-17(7-9-19)25-20(16-23(30)36)24(33-35(25)22-5-2-1-4-21(22)29)27(37)34-14-10-18(11-15-34)26-31-12-3-13-32-26/h1-9,12-13,18H,10-11,14-16H2,(H2,30,36)
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n/an/a 1.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306214
PNG
(4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chl...)
Show SMILES NC(=O)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23Cl2N5O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)31)21(23(32)28-29-12-4-1-5-13-29)27-30(22)19-7-3-2-6-18(19)25/h2-3,6-11H,1,4-5,12-14H2,(H2,26,31)(H,28,32)
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7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172418
PNG
(CHEMBL195635 | N-[4-Methyl-2-(4-pyrrolidin-1-yl-pi...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCCC1
Show InChI InChI=1S/C28H31F3N4O3/c1-19-16-26(35-14-10-21(11-15-35)34-12-2-3-13-34)33-25-9-4-20(17-24(19)25)32-27(36)18-37-22-5-7-23(8-6-22)38-28(29,30)31/h4-9,16-17,21H,2-3,10-15,18H2,1H3,(H,32,36)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172425
PNG
(CHEMBL197026 | N-[2-(4-Amino-piperidin-1-yl)-4-met...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCC(N)CC1
Show InChI InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32)
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7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50306228
PNG
(4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-c...)
Show SMILES NC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C24H18Cl2FN5O/c25-15-7-5-14(6-8-15)23-18(13-21(28)29)22(24(33)30-17-11-9-16(27)10-12-17)31-32(23)20-4-2-1-3-19(20)26/h1-12H,13H2,(H3,28,29)(H,30,33)
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n/an/a 1.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP55940-induced GTPgammaS binding


Bioorg Med Chem Lett 20: 453-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.003
BindingDB Entry DOI: 10.7270/Q2MK6D09
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172424
PNG
(CHEMBL198361 | N-(4-Methyl-2-morpholin-4-yl-quinol...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCOCC1
Show InChI InChI=1S/C23H22F3N3O4/c1-15-12-21(29-8-10-31-11-9-29)28-20-7-2-16(13-19(15)20)27-22(30)14-32-17-3-5-18(6-4-17)33-23(24,25)26/h2-7,12-13H,8-11,14H2,1H3,(H,27,30)
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n/an/a 1.60n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
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