Compile Data Set for Download or QSAR
Found 14 Enz. Inhib. hit(s) with all data for entry = 50042687
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM21278(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)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50195530(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
Affinity DataKi:  11nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429403(CHEMBL2337204)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C\C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13-
Affinity DataKi:  26nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429405(CHEMBL2337206)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)CC1CCCCC1
Show InChI InChI=1S/C24H23Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16H,2-6,13H2,1H3
Affinity DataKi:  46nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429404(CHEMBL2337205)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(O)CC1CCCCC1
Show InChI InChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3
Affinity DataKi:  175nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429401(CHEMBL2337202)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(NN1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C23H22Cl3F3N4/c1-14-20(22(23(27,28)29)31-32-11-3-2-4-12-32)30-33(19-10-9-17(25)13-18(19)26)21(14)15-5-7-16(24)8-6-15/h5-10,13,22,31H,2-4,11-12H2,1H3
Affinity DataKi:  287nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM21278(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)
Affinity DataKi:  375nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429402(CHEMBL2337203)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C/C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13+
Affinity DataKi:  412nMAssay Description:Displacement of [3H]CP55940 from CB1 receptor in CD1 mouse brain membrane without cerebellum by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429403(CHEMBL2337204)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C\C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13-
Affinity DataKi:  1.95E+3nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429405(CHEMBL2337206)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)CC1CCCCC1
Show InChI InChI=1S/C24H23Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16H,2-6,13H2,1H3
Affinity DataKi:  2.23E+3nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50195530(5-(4-chlorophenyl)-3-[(E)-2-cyclohexylethenyl]-1-(...)
Show SMILES Cc1c(\C=C\C2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H23Cl3N2/c1-16-22(13-7-17-5-3-2-4-6-17)28-29(23-14-12-20(26)15-21(23)27)24(16)18-8-10-19(25)11-9-18/h7-15,17H,2-6H2,1H3/b13-7+
Affinity DataKi:  3.80E+3nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429402(CHEMBL2337203)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(\F)=C/C1CCCCC1
Show InChI InChI=1S/C24H22Cl3FN2/c1-15-23(21(28)13-16-5-3-2-4-6-16)29-30(22-12-11-19(26)14-20(22)27)24(15)17-7-9-18(25)10-8-17/h7-14,16H,2-6H2,1H3/b21-13+
Affinity DataKi:  4.00E+3nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429404(CHEMBL2337205)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(O)CC1CCCCC1
Show InChI InChI=1S/C24H25Cl3N2O/c1-15-23(22(30)13-16-5-3-2-4-6-16)28-29(21-12-11-19(26)14-20(21)27)24(15)17-7-9-18(25)10-8-17/h7-12,14,16,22,30H,2-6,13H2,1H3
Affinity DataKi:  4.20E+3nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Neuroscienze PharmaNess S.c.a r.l.

Curated by ChEMBL
LigandPNGBDBM50429401(CHEMBL2337202)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(NN1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C23H22Cl3F3N4/c1-14-20(22(23(27,28)29)31-32-11-3-2-4-12-32)30-33(19-10-9-17(25)13-18(19)26)21(14)15-5-7-16(24)8-6-15/h5-10,13,22,31H,2-4,11-12H2,1H3
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP55940 from CB2 receptor in CD1 mouse spleen membrane by liquid scintillation counting analysisMore data for this Ligand-Target Pair