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PubMed code 18448340

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260806
PNG
(CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)
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0.240n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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0.310n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260806
PNG
(CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)
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0.410n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
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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0.430n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260767
PNG
(1-(5-(4-chlorophenyl)-6-(2-chloropyridin-4-yl)pyra...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C23H24Cl2N6O/c1-2-29-23(22(26)32)8-11-31(12-9-23)19-14-28-20(15-3-5-17(24)6-4-15)21(30-19)16-7-10-27-18(25)13-16/h3-7,10,13-14,29H,2,8-9,11-12H2,1H3,(H2,26,32)
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0.670n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260805
PNG
(CHEMBL524804 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CCC(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C24H23ClF3N5O/c1-2-21(34)31-17-8-11-33(12-9-17)20-14-30-22(15-3-5-16(6-4-15)24(26,27)28)23(32-20)18-7-10-29-13-19(18)25/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,31,34)
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0.800n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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0.830n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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0.830n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260768
PNG
(1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C24H24ClF3N6O/c1-2-32-23(22(29)35)8-11-34(12-9-23)19-14-31-20(15-3-5-17(6-4-15)24(26,27)28)21(33-19)16-7-10-30-18(25)13-16/h3-7,10,13-14,32H,2,8-9,11-12H2,1H3,(H2,29,35)
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0.870n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260682
PNG
(1-(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazi...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C24H24Cl3N5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-5-16(25)6-4-15)22(31-20)18-8-7-17(26)13-19(18)27/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)
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0.910n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260803
PNG
(1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...)
Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)
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1.20n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260718
PNG
(1-(6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccccc1Cl)C(N)=O
Show InChI InChI=1S/C24H25Cl2N5O/c1-2-29-24(23(27)32)11-13-31(14-12-24)20-15-28-21(16-7-9-17(25)10-8-16)22(30-20)18-5-3-4-6-19(18)26/h3-10,15,29H,2,11-14H2,1H3,(H2,27,32)
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1.66n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260717
PNG
(1-(6-(2,4-dichlorophenyl)-5-(4-fluorophenyl)pyrazi...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(F)cc2)c(n1)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C24H24Cl2FN5O/c1-2-30-24(23(28)33)9-11-32(12-10-24)20-14-29-21(15-3-6-17(27)7-4-15)22(31-20)18-8-5-16(25)13-19(18)26/h3-8,13-14,30H,2,9-12H2,1H3,(H2,28,33)
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1.75n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260804
PNG
(CHEMBL497556 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C23H21ClF3N5O/c1-14(33)30-17-7-10-32(11-8-17)20-13-29-21(15-2-4-16(5-3-15)23(25,26)27)22(31-20)18-6-9-28-12-19(18)24/h2-6,9,12-13,17H,7-8,10-11H2,1H3,(H,30,33)
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1.97n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50260803
PNG
(1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...)
Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)
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2.06n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260720
PNG
(1-(5,6-bis(4-ethoxyphenyl)pyrazin-2-yl)-4-(ethylam...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(OCC)cc2)c(n1)-c1ccc(OCC)cc1)C(N)=O
Show InChI InChI=1S/C28H35N5O3/c1-4-31-28(27(29)34)15-17-33(18-16-28)24-19-30-25(20-7-11-22(12-8-20)35-5-2)26(32-24)21-9-13-23(14-10-21)36-6-3/h7-14,19,31H,4-6,15-18H2,1-3H3,(H2,29,34)
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2.84n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260766
PNG
(1-(5-(4-chlorophenyl)-6-(pyridin-4-yl)pyrazin-2-yl...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccncc1)C(N)=O
Show InChI InChI=1S/C23H25ClN6O/c1-2-28-23(22(25)31)9-13-30(14-10-23)19-15-27-20(16-3-5-18(24)6-4-16)21(29-19)17-7-11-26-12-8-17/h3-8,11-12,15,28H,2,9-10,13-14H2,1H3,(H2,25,31)
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9.81n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260719
PNG
(1-(6-(2-chlorophenyl)-5-(4-ethoxyphenyl)pyrazin-2-...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(OCC)cc2)c(n1)-c1ccccc1Cl)C(N)=O
Show InChI InChI=1S/C26H30ClN5O2/c1-3-30-26(25(28)33)13-15-32(16-14-26)22-17-29-23(18-9-11-19(12-10-18)34-4-2)24(31-22)20-7-5-6-8-21(20)27/h5-12,17,30H,3-4,13-16H2,1-2H3,(H2,28,33)
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15.0n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260765
PNG
(1-(5-(4-chlorophenyl)-6-(4-cyanophenyl)pyrazin-2-y...)
Show SMILES CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccc(cc1)C#N)C(N)=O
Show InChI InChI=1S/C25H25ClN6O/c1-2-30-25(24(28)33)11-13-32(14-12-25)21-16-29-22(18-7-9-20(26)10-8-18)23(31-21)19-5-3-17(15-27)4-6-19/h3-10,16,30H,2,11-14H2,1H3,(H2,28,33)
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32.3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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815n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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1.90E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260806
PNG
(CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)
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4.95E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260803
PNG
(1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...)
Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)
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>5.00E+4n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260806
PNG
(CHEMBL497557 | N-(1-(6-(3-chloropyridin-4-yl)-5-(4...)
Show SMILES CC(C)C(=O)NC1CCN(CC1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccncc1Cl
Show InChI InChI=1S/C25H25ClF3N5O/c1-15(2)24(35)32-18-8-11-34(12-9-18)21-14-31-22(16-3-5-17(6-4-16)25(27,28)29)23(33-21)19-7-10-30-13-20(19)26/h3-7,10,13-15,18H,8-9,11-12H2,1-2H3,(H,32,35)
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n/an/a 0.540n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
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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n/an/a 1.35n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260803
PNG
(1-(6-(2-chloropyridin-4-yl)-5-(4-(trifluoromethyl)...)
Show SMILES CCNC1(CN(C1)c1cnc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1ccnc(Cl)c1)C(N)=O
Show InChI InChI=1S/C22H20ClF3N6O/c1-2-30-21(20(27)33)11-32(12-21)17-10-29-18(13-3-5-15(6-4-13)22(24,25)26)19(31-17)14-7-8-28-16(23)9-14/h3-10,30H,2,11-12H2,1H3,(H2,27,33)
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n/an/a 3.07n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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n/an/a 4.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%