Compile Data Set for Download or QSAR
Found 98 with Last Name = 'sanna' and Initial = 'a'
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50180022(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
Affinity DataKi:  0.280nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50176977(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50072775(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50072775(2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)
Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1
Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200166(1-(2',4'-dichlorophenyl)-6-methyl-N-cyclohexylamin...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C24H23Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h7-11,13,17H,2-6,12H2,1H3,(H,27,30)
Affinity DataKi:  7.60nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200177(7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-cyclo...)
Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H22Cl3N3O/c1-13-9-14-10-18-22(24(31)28-16-5-3-2-4-6-16)29-30(23(18)17(14)12-19(13)26)21-8-7-15(25)11-20(21)27/h7-9,11-12,16H,2-6,10H2,1H3,(H,28,31)
Affinity DataKi:  25nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200163(1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H17Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13H,12H2,1H3,(H,27,30)
Affinity DataKi:  33nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200175(1-(2',4'-dichlorophenyl)-6-methyl-N-p-fluorophenyl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H16Cl2FN3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-4-16(27)5-7-17)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12H,11H2,1H3,(H,28,31)
Affinity DataKi:  61nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200172(1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccccc2)c1
Show InChI InChI=1S/C24H18Cl2N4O/c1-14-7-9-18-15(11-14)12-19-22(24(31)28-27-17-5-3-2-4-6-17)29-30(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13,27H,12H2,1H3,(H,28,31)
Affinity DataKi:  63nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50180022(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
Affinity DataKi:  70nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200167(1-(2',4'-dichlorophenyl)-6-methyl-N-p-methylphenyl...)
Show SMILES Cc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O/c1-14-3-7-18(8-4-14)28-25(31)23-20-12-16-11-15(2)5-9-19(16)24(20)30(29-23)22-10-6-17(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)
Affinity DataKi:  74nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200165(6-chloro-1-(2',4'-dichlorophenyl)-7-methyl-N-piper...)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)cc1Cl
Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-16-14(11-18(13)25)10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(16)17)20-6-5-15(24)12-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)
Affinity DataKi:  85nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200171(1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...)
Show SMILES COc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-3-9-19-15(11-14)12-20-23(25(31)28-17-5-7-18(32-2)8-6-17)29-30(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)
Affinity DataKi:  114nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200162(1-(2',4'-dichlorophenyl)-6-methyl-N-p-chlorophenyl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H16Cl3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-3-15(25)4-7-17)29-30(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,28,31)
Affinity DataKi:  177nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464771(CHEMBL4279417)
Show SMILES CC(C)=CCc1c(oc2c([C@@H]3C=C(C)C[C@@H]([C@H]3C(=O)c3ccc(O)cc3O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
Affinity DataKi:  200nMAssay Description:Non-competitive inhibition of human PTP1B using p-nitrophenyl phosphate as substrate up to 7 uM preincubated for 10 mins followed by substrate additi...More data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464769(CHEMBL4290098)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@H]2c2c(O)cc(O)c3c2oc(c(CC=C(C)C)c3=O)-c2ccc(O)cc2O)c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1
Affinity DataKi:  200nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200168(7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-piper...)
Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-14-10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(17)16(14)12-18(13)25)20-6-5-15(24)11-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)
Affinity DataKi:  200nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200169(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
Affinity DataKi:  363nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464771(CHEMBL4279417)
Show SMILES CC(C)=CCc1c(oc2c([C@@H]3C=C(C)C[C@@H]([C@H]3C(=O)c3ccc(O)cc3O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
Affinity DataKi:  390nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200177(7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-cyclo...)
Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C24H22Cl3N3O/c1-13-9-14-10-18-22(24(31)28-16-5-3-2-4-6-16)29-30(23(18)17(14)12-19(13)26)21-8-7-15(25)11-20(21)27/h7-9,11-12,16H,2-6,10H2,1H3,(H,28,31)
Affinity DataKi:  833nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200166(1-(2',4'-dichlorophenyl)-6-methyl-N-cyclohexylamin...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C24H23Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h7-11,13,17H,2-6,12H2,1H3,(H,27,30)
Affinity DataKi:  900nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200168(7-chloro-1-(2',4'-dichlorophenyl)-6-methyl-N-piper...)
Show SMILES Cc1cc2Cc3c(nn(c3-c2cc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-14-10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(17)16(14)12-18(13)25)20-6-5-15(24)11-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)
Affinity DataKi:  916nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200165(6-chloro-1-(2',4'-dichlorophenyl)-7-methyl-N-piper...)
Show SMILES Cc1cc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)cc1Cl
Show InChI InChI=1S/C23H21Cl3N4O/c1-13-9-16-14(11-18(13)25)10-17-21(23(31)28-29-7-3-2-4-8-29)27-30(22(16)17)20-6-5-15(24)12-19(20)26/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,28,31)
Affinity DataKi:  1.20E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464770(CHEMBL4280952)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2c2c(O)cc(\C=C\c3ccc(O)cc3O)cc2O)c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30+,36-/m1/s1
Affinity DataKi:  1.60E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50176977(1,4-dihydroindeno[1,2-c]-pyrazole | 6-chloro-1-(2'...)
Show SMILES Clc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1
Show InChI InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)
Affinity DataKi:  2.05E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200160(1-(2',4'-dichlorphenyl)-6-methyl-N-p-nitrophenyl-1...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H17Cl2N5O3/c1-13-2-8-18-14(10-13)11-19-22(24(32)28-27-16-4-6-17(7-5-16)31(33)34)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12,27H,11H2,1H3,(H,28,32)
Affinity DataKi:  2.12E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200172(1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccccc2)c1
Show InChI InChI=1S/C24H18Cl2N4O/c1-14-7-9-18-15(11-14)12-19-22(24(31)28-27-17-5-3-2-4-6-17)29-30(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13,27H,12H2,1H3,(H,28,31)
Affinity DataKi:  2.28E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200163(1-(2',4'-dichlorophenyl)-6-methyl-N-phenyl-1,4-dih...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C24H17Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13H,12H2,1H3,(H,27,30)
Affinity DataKi:  2.41E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200161(1-(2',4'-dichlorophenyl)-6-methyl-N-o,p-dichloroph...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-20-6-3-14(25)10-18(20)27)30-31(23(16)17)21-7-4-15(26)11-19(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)
Affinity DataKi:  2.63E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200164(1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...)
Show SMILES COc1ccc(NNC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H20Cl2N4O2/c1-14-3-9-19-15(11-14)12-20-23(25(32)29-28-17-5-7-18(33-2)8-6-17)30-31(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13,28H,12H2,1-2H3,(H,29,32)
Affinity DataKi:  3.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200160(1-(2',4'-dichlorphenyl)-6-methyl-N-p-nitrophenyl-1...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H17Cl2N5O3/c1-13-2-8-18-14(10-13)11-19-22(24(32)28-27-16-4-6-17(7-5-16)31(33)34)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12,27H,11H2,1H3,(H,28,32)
Affinity DataKi:  4.50E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200167(1-(2',4'-dichlorophenyl)-6-methyl-N-p-methylphenyl...)
Show SMILES Cc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O/c1-14-3-7-18(8-4-14)28-25(31)23-20-12-16-11-15(2)5-9-19(16)24(20)30(29-23)22-10-6-17(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200175(1-(2',4'-dichlorophenyl)-6-methyl-N-p-fluorophenyl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H16Cl2FN3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-4-16(27)5-7-17)29-30(23(18)19)21-9-3-15(25)12-20(21)26/h2-10,12H,11H2,1H3,(H,28,31)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200173(1-(2',4'-dichlorphenyl)-6-methyl-N-p-chlorophenyl-...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H17Cl3N4O/c1-13-2-8-18-14(10-13)11-19-22(24(32)29-28-17-6-3-15(25)4-7-17)30-31(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12,28H,11H2,1H3,(H,29,32)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200174(1-(2',4'-dichlorophenyl)-6-methyl-N-p-trifluoromet...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C25H16Cl2F3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(34)31-17-6-3-15(4-7-17)25(28,29)30)32-33(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,31,34)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200164(1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...)
Show SMILES COc1ccc(NNC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H20Cl2N4O2/c1-14-3-9-19-15(11-14)12-20-23(25(32)29-28-17-5-7-18(33-2)8-6-17)30-31(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13,28H,12H2,1-2H3,(H,29,32)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200161(1-(2',4'-dichlorophenyl)-6-methyl-N-o,p-dichloroph...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-20-6-3-14(25)10-18(20)27)30-31(23(16)17)21-7-4-15(26)11-19(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200178(1-(2',4'-dichlorophenyl)-6-methyl-N-m,p-dichloroph...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-15-4-6-18(26)19(27)11-15)30-31(23(16)17)21-7-3-14(25)10-20(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 2(MOUSE)
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200178(1-(2',4'-dichlorophenyl)-6-methyl-N-m,p-dichloroph...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-15-4-6-18(26)19(27)11-15)30-31(23(16)17)21-7-3-14(25)10-20(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse spleen CB2 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200173(1-(2',4'-dichlorphenyl)-6-methyl-N-p-chlorophenyl-...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NNc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H17Cl3N4O/c1-13-2-8-18-14(10-13)11-19-22(24(32)29-28-17-6-3-15(25)4-7-17)30-31(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12,28H,11H2,1H3,(H,29,32)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200171(1-(2',4'-dichlorophenyl)-6-methyl-N-p-methoxypheny...)
Show SMILES COc1ccc(NC(=O)c2nn(c-3c2Cc2cc(C)ccc-32)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C25H19Cl2N3O2/c1-14-3-9-19-15(11-14)12-20-23(25(31)28-17-5-7-18(32-2)8-6-17)29-30(24(19)20)22-10-4-16(26)13-21(22)27/h3-11,13H,12H2,1-2H3,(H,28,31)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200162(1-(2',4'-dichlorophenyl)-6-methyl-N-p-chlorophenyl...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H16Cl3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(31)28-17-6-3-15(25)4-7-17)29-30(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,28,31)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetCannabinoid receptor 1(Mus musculus (Mouse))
Universit£ di Sassari

Curated by ChEMBL
LigandPNGBDBM50200174(1-(2',4'-dichlorophenyl)-6-methyl-N-p-trifluoromet...)
Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)Nc2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C25H16Cl2F3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(34)31-17-6-3-15(4-7-17)25(28,29)30)32-33(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,31,34)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CP-55940 from CD1 mouse brain CB1 receptorMore data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464769(CHEMBL4290098)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@H]2c2c(O)cc(O)c3c2oc(c(CC=C(C)C)c3=O)-c2ccc(O)cc2O)c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1
Affinity DataIC50: 360nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464769(CHEMBL4290098)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@H]2c2c(O)cc(O)c3c2oc(c(CC=C(C)C)c3=O)-c2ccc(O)cc2O)c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1
Affinity DataIC50: 363nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464771(CHEMBL4279417)
Show SMILES CC(C)=CCc1c(oc2c([C@@H]3C=C(C)C[C@@H]([C@H]3C(=O)c3ccc(O)cc3O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
Affinity DataIC50: 830nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50464771(CHEMBL4279417)
Show SMILES CC(C)=CCc1c(oc2c([C@@H]3C=C(C)C[C@@H]([C@H]3C(=O)c3ccc(O)cc3O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
Affinity DataIC50: 832nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50269559(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetTYR_PHOSPHATASE_2 domain-containing protein(Mycobacterium tuberculosis)
Universidade Federal de Santa Catarina

Curated by ChEMBL
LigandPNGBDBM50269559(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition meas...More data for this Ligand-Target Pair
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