Compile Data Set for Download or QSAR
Found 87 Enz. Inhib. hit(s) with all data for entry = 50010893
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 0.430nMAssay Description:Antagonist activity at TLR8 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 0.620nMAssay Description:Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543163(CHEMBL4642652)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m1/s1
Affinity DataIC50: 1.10nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 2.10nMAssay Description:Antagonist activity at TLR8 in human whole blood assessed as inhibition of R848-induced TNFalpha production preincubated for 30 mins followed by R848...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 2.10nMAssay Description:Antagonist activity at TLR7 in human whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543162(CHEMBL4644098)
Show SMILES FC(F)(F)c1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H21F3N4O/c22-21(23,24)17-11-13(16-3-4-19(29)27-9-1-2-18(16)27)10-14-12-28(26-20(14)17)15-5-7-25-8-6-15/h3-4,10-12,15,25H,1-2,5-9H2
Affinity DataIC50: 2.70nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543149(CHEMBL4649727)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H24N4O/c1-14-11-15(18-4-5-20(26)24-10-2-3-19(18)24)12-16-13-25(23-21(14)16)17-6-8-22-9-7-17/h4-5,11-13,17,22H,2-3,6-10H2,1H3
Affinity DataIC50: 4.5nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543148(CHEMBL4634366)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cn(C)c(=O)c2ccoc12
Show InChI InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3
Affinity DataIC50: 8.90nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543153(CHEMBL4647201)
Show SMILES Cc1c(ccc(=O)n1C)-c1cc(C2CC2)c2nn(cc2c1)C1CCNCC1
Show InChI InChI=1S/C22H26N4O/c1-14-19(5-6-21(27)25(14)2)16-11-17-13-26(18-7-9-23-10-8-18)24-22(17)20(12-16)15-3-4-15/h5-6,11-13,15,18,23H,3-4,7-10H2,1-2H3
Affinity DataIC50: 11nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543146(CHEMBL4633872)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1F
Show InChI InChI=1S/C19H21FN4O/c1-12-9-13(16-3-4-17(25)23(2)19(16)20)10-14-11-24(22-18(12)14)15-5-7-21-8-6-15/h3-4,9-11,15,21H,5-8H2,1-2H3
Affinity DataIC50: 13nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543144(CHEMBL4642538)
Show SMILES Cc1cc(=O)n(C)cc1-c1cc(C)c2nn(cc2c1)C1CCNCC1
Show InChI InChI=1S/C20H24N4O/c1-13-9-19(25)23(3)12-18(13)15-8-14(2)20-16(10-15)11-24(22-20)17-4-6-21-7-5-17/h8-12,17,21H,4-7H2,1-3H3
Affinity DataIC50: 14nMAssay Description:Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543161(CHEMBL4647559)
Show SMILES Cn1c(F)c(ccc1=O)-c1cc(c2nn(cc2c1)C1CCNCC1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N4O/c1-26-16(28)3-2-14(18(26)20)11-8-12-10-27(13-4-6-24-7-5-13)25-17(12)15(9-11)19(21,22)23/h2-3,8-10,13,24H,4-7H2,1H3
Affinity DataIC50: 15nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543152(CHEMBL4632520)
Show SMILES Cc1c(ccc(=O)n1C)-c1cc(c2nn(cc2c1)C1CCNCC1)C(F)(F)F
Show InChI InChI=1S/C20H21F3N4O/c1-12-16(3-4-18(28)26(12)2)13-9-14-11-27(15-5-7-24-8-6-15)25-19(14)17(10-13)20(21,22)23/h3-4,9-11,15,24H,5-8H2,1-2H3
Affinity DataIC50: 18nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 20nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543145(CHEMBL4641604)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H24N4O/c1-13-10-15(18-4-5-19(25)23(3)14(18)2)11-16-12-24(22-20(13)16)17-6-8-21-9-7-17/h4-5,10-12,17,21H,6-9H2,1-3H3
Affinity DataIC50: 28nMAssay Description:Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543151(CHEMBL4635547)
Show SMILES Cc1c(ccc(=O)n1C)-c1cc(Cl)c2nn(cc2c1)C1CCNCC1
Show InChI InChI=1S/C19H21ClN4O/c1-12-16(3-4-18(25)23(12)2)13-9-14-11-24(15-5-7-21-8-6-15)22-19(14)17(20)10-13/h3-4,9-11,15,21H,5-8H2,1-2H3
Affinity DataIC50: 30nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543147(CHEMBL4635717)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1Cl
Show InChI InChI=1S/C19H21ClN4O/c1-12-9-13(16-3-4-17(25)23(2)19(16)20)10-14-11-24(22-18(12)14)15-5-7-21-8-6-15/h3-4,9-11,15,21H,5-8H2,1-2H3
Affinity DataIC50: 30nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543143(CHEMBL4643502)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N4O/c1-13-8-15(16-9-14(2)20(25)23(3)11-16)10-17-12-24(22-19(13)17)18-4-6-21-7-5-18/h8-12,18,21H,4-7H2,1-3H3
Affinity DataIC50: 33nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543164(CHEMBL4632846)
Show SMILES F[C@H]1CNCC[C@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18+/m0/s1
Affinity DataIC50: 33nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543143(CHEMBL4643502)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N4O/c1-13-8-15(16-9-14(2)20(25)23(3)11-16)10-17-12-24(22-19(13)17)18-4-6-21-7-5-18/h8-12,18,21H,4-7H2,1-3H3
Affinity DataIC50: 34nMAssay Description:Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543155(CHEMBL4640935)
Show SMILES CN(C)CC(=O)N1CCC(CC1)n1cc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C24H31N5O2/c1-16-12-18(21-6-7-22(30)27(5)17(21)2)13-19-14-29(25-24(16)19)20-8-10-28(11-9-20)23(31)15-26(3)4/h6-7,12-14,20H,8-11,15H2,1-5H3
Affinity DataIC50: 35nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543145(CHEMBL4641604)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H24N4O/c1-13-10-15(18-4-5-19(25)23(3)14(18)2)11-16-12-24(22-20(13)16)17-6-8-21-9-7-17/h4-5,10-12,17,21H,6-9H2,1-3H3
Affinity DataIC50: 39nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543140(CHEMBL4637821)
Show SMILES CC(C)N1CCN(CC1)c1ncc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H27N5O/c1-15(2)26-7-9-27(10-8-26)22-23-13-19-12-18(11-16(3)21(19)24-22)17-5-6-20(28)25(4)14-17/h5-6,11-15H,7-10H2,1-4H3
Affinity DataIC50: 45nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543154(CHEMBL4633423)
Show SMILES CN1CCC(CC1)n1cc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C21H26N4O/c1-14-11-16(19-5-6-20(26)24(4)15(19)2)12-17-13-25(22-21(14)17)18-7-9-23(3)10-8-18/h5-6,11-13,18H,7-10H2,1-4H3
Affinity DataIC50: 47nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543137(CHEMBL4634860)
Show SMILES Cc1cc(cnc1OCC12CCC(N)(CC1)CC2)-c1ccnc2[nH]ncc12
Show InChI InChI=1S/C21H25N5O/c1-14-10-15(16-2-9-23-18-17(16)12-25-26-18)11-24-19(14)27-13-20-3-6-21(22,7-4-20)8-5-20/h2,9-12H,3-8,13,22H2,1H3,(H,23,25,26)
Affinity DataIC50: 68nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543163(CHEMBL4642652)
Show SMILES F[C@@H]1CNCC[C@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m1/s1
Affinity DataIC50: 69nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543144(CHEMBL4642538)
Show SMILES Cc1cc(=O)n(C)cc1-c1cc(C)c2nn(cc2c1)C1CCNCC1
Show InChI InChI=1S/C20H24N4O/c1-13-9-19(25)23(3)12-18(13)15-8-14(2)20-16(10-15)11-24(22-20)17-4-6-21-7-5-17/h8-12,17,21H,4-7H2,1-3H3
Affinity DataIC50: 76nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543139(CHEMBL4646719)
Show SMILES Cn1cc(ccc1=O)-c1ccc2nc(ncc2c1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C22H25N5O/c1-25-15-17(6-8-21(25)28)16-5-7-20-18(13-16)14-23-22(24-20)27-11-9-26(10-12-27)19-3-2-4-19/h5-8,13-15,19H,2-4,9-12H2,1H3
Affinity DataIC50: 91nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543156(CHEMBL4648996)
Show SMILES Cc1cc(cc2cn(nc12)C1CCCNC1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H24N4O/c1-13-9-15(18-6-7-19(25)23(3)14(18)2)10-16-12-24(22-20(13)16)17-5-4-8-21-11-17/h6-7,9-10,12,17,21H,4-5,8,11H2,1-3H3
Affinity DataIC50: 93nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543159(CHEMBL4647012)
Show SMILES Cc1cc(cc2cn(nc12)-c1cccnc1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H18N4O/c1-13-9-15(18-6-7-19(25)23(3)14(18)2)10-16-12-24(22-20(13)16)17-5-4-8-21-11-17/h4-12H,1-3H3
Affinity DataIC50: 140nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543141(CHEMBL4639145)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C19H22N4O/c1-13-9-15(14-3-4-18(24)22(2)11-14)10-16-12-23(21-19(13)16)17-5-7-20-8-6-17/h3-4,9-12,17,20H,5-8H2,1-2H3
Affinity DataIC50: 140nMAssay Description:Antagonist activity at TLR7 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543159(CHEMBL4647012)
Show SMILES Cc1cc(cc2cn(nc12)-c1cccnc1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H18N4O/c1-13-9-15(18-6-7-19(25)23(3)14(18)2)10-16-12-24(22-20(13)16)17-5-4-8-21-11-17/h4-12H,1-3H3
Affinity DataIC50: 140nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 7(Mus musculus)
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543142(CHEMBL4641633)
Show SMILES F[C@H]1CNCC[C@@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18-/m0/s1
Affinity DataIC50: 180nMAssay Description:Antagonist activity at TLR7 in mouse whole blood assessed as inhibition of DOTAP-ssRNA40 induced IFNalpha production preincubated for 30 mins followe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 9(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543143(CHEMBL4643502)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N4O/c1-13-8-15(16-9-14(2)20(25)23(3)11-16)10-17-12-24(22-19(13)17)18-4-6-21-7-5-18/h8-12,18,21H,4-7H2,1-3H3
Affinity DataIC50: 200nMAssay Description:Antagonist activity at TLR9 in human PBMC assessed as inhibition of ODN2216-induced IFNalpha production preincubated for 30 mins followed by ODN2216 ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543140(CHEMBL4637821)
Show SMILES CC(C)N1CCN(CC1)c1ncc2cc(cc(C)c2n1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C22H27N5O/c1-15(2)26-7-9-27(10-8-26)22-23-13-19-12-18(11-16(3)21(19)24-22)17-5-6-20(28)25(4)14-17/h5-6,11-15H,7-10H2,1-4H3
Affinity DataIC50: 220nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 4(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543143(CHEMBL4643502)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C20H24N4O/c1-13-8-15(16-9-14(2)20(25)23(3)11-16)10-17-12-24(22-19(13)17)18-4-6-21-7-5-18/h8-12,18,21H,4-7H2,1-3H3
Affinity DataIC50: 250nMAssay Description:Antagonist activity at TLR4 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS addition...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543164(CHEMBL4632846)
Show SMILES F[C@H]1CNCC[C@H]1n1cc2cc(cc(c2n1)C(F)(F)F)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H20F4N4O/c22-16-10-26-6-5-18(16)29-11-13-8-12(9-15(20(13)27-29)21(23,24)25)14-3-4-19(30)28-7-1-2-17(14)28/h3-4,8-9,11,16,18,26H,1-2,5-7,10H2/t16-,18+/m0/s1
Affinity DataIC50: 270nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543161(CHEMBL4647559)
Show SMILES Cn1c(F)c(ccc1=O)-c1cc(c2nn(cc2c1)C1CCNCC1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N4O/c1-26-16(28)3-2-14(18(26)20)11-8-12-10-27(13-4-6-24-7-5-13)25-17(12)15(9-11)19(21,22)23/h2-3,8-10,13,24H,4-7H2,1H3
Affinity DataIC50: 280nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543157(CHEMBL4635744)
Show SMILES Cc1cc(cc2cn(nc12)C1CNCCC1(F)F)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H22F2N4O/c1-12-8-14(16-4-5-18(27)25(3)13(16)2)9-15-11-26(24-19(12)15)17-10-23-7-6-20(17,21)22/h4-5,8-9,11,17,23H,6-7,10H2,1-3H3
Affinity DataIC50: 300nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543141(CHEMBL4639145)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C19H22N4O/c1-13-9-15(14-3-4-18(24)22(2)11-14)10-16-12-23(21-19(13)16)17-5-7-20-8-6-17/h3-4,9-12,17,20H,5-8H2,1-2H3
Affinity DataIC50: 320nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543162(CHEMBL4644098)
Show SMILES FC(F)(F)c1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H21F3N4O/c22-21(23,24)17-11-13(16-3-4-19(29)27-9-1-2-18(16)27)10-14-12-28(26-20(14)17)15-5-7-25-8-6-15/h3-4,10-12,15,25H,1-2,5-9H2
Affinity DataIC50: 320nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543148(CHEMBL4634366)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1cn(C)c(=O)c2ccoc12
Show InChI InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3
Affinity DataIC50: 400nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543149(CHEMBL4649727)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n2CCCc12
Show InChI InChI=1S/C21H24N4O/c1-14-11-15(18-4-5-20(26)24-10-2-3-19(18)24)12-16-13-25(23-21(14)16)17-6-8-22-9-7-17/h4-5,11-13,17,22H,2-3,6-10H2,1H3
Affinity DataIC50: 600nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543146(CHEMBL4633872)
Show SMILES Cc1cc(cc2cn(nc12)C1CCNCC1)-c1ccc(=O)n(C)c1F
Show InChI InChI=1S/C19H21FN4O/c1-12-9-13(16-3-4-17(25)23(2)19(16)20)10-14-11-24(22-18(12)14)15-5-7-21-8-6-15/h3-4,9-11,15,21H,5-8H2,1-2H3
Affinity DataIC50: 800nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543150(CHEMBL4647602)
Show SMILES Cn1cc(ccc1=O)-c1ccc2nn(cc2c1)C1CCNCC1
Show InChI InChI=1S/C18H20N4O/c1-21-11-14(3-5-18(21)23)13-2-4-17-15(10-13)12-22(20-17)16-6-8-19-9-7-16/h2-5,10-12,16,19H,6-9H2,1H3
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at TLR8 in human PBMC assessed as inhibition of DOTAP-ssRNA40 induced TNFalpha production preincubated for 30 mins followed by ss...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543153(CHEMBL4647201)
Show SMILES Cc1c(ccc(=O)n1C)-c1cc(C2CC2)c2nn(cc2c1)C1CCNCC1
Show InChI InChI=1S/C22H26N4O/c1-14-19(5-6-21(27)25(14)2)16-11-17-13-26(18-7-9-23-10-8-18)24-22(17)20(12-16)15-3-4-15/h5-6,11-13,15,18,23H,3-4,7-10H2,1-2H3
Affinity DataIC50: 1.30E+3nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543157(CHEMBL4635744)
Show SMILES Cc1cc(cc2cn(nc12)C1CNCCC1(F)F)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H22F2N4O/c1-12-8-14(16-4-5-18(27)25(3)13(16)2)9-15-11-26(24-19(12)15)17-10-23-7-6-20(17,21)22/h4-5,8-9,11,17,23H,6-7,10H2,1-3H3
Affinity DataIC50: 1.40E+3nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 8(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543158(CHEMBL4633436)
Show SMILES Cc1cc(cc2cn(nc12)C1CNCC(F)(F)C1)-c1ccc(=O)n(C)c1C
Show InChI InChI=1S/C20H22F2N4O/c1-12-6-14(17-4-5-18(27)25(3)13(17)2)7-15-10-26(24-19(12)15)16-8-20(21,22)11-23-9-16/h4-7,10,16,23H,8-9,11H2,1-3H3
Affinity DataIC50: 1.40E+3nMAssay Description:Displacement of 2-((1E,3E,5E)-5-(3,3-Dimethyl-1-(6-((4-(((3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl)oxy)methyl)bicyclo[2.2.2]octan-1-yl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetToll-like receptor 4(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50543139(CHEMBL4646719)
Show SMILES Cn1cc(ccc1=O)-c1ccc2nc(ncc2c1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C22H25N5O/c1-25-15-17(6-8-21(25)28)16-5-7-20-18(13-16)14-23-22(24-20)27-11-9-26(10-12-27)19-3-2-4-19/h5-8,13-15,19H,2-4,9-12H2,1H3
Affinity DataIC50: 1.40E+3nMAssay Description:Antagonist activity at TLR4 in human PBMC assessed as inhibition of LPS-induced TNFalpha production preincubated for 30 mins followed by LPS addition...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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