Compile Data Set for Download or QSAR
Found 449 Enz. Inhib. hit(s) with Target = 'Interleukin-1 beta'
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM86694(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531296(US11208399, Example 53)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O/c1-28-6-2-3-11(9-28)25-15-8-13(18(22,23)24)16(27-26-15)12-5-4-10(7-14(12)29)17(19,20)21/h4-5,7-8,11,29H,2-3,6,9H2,1H3,(H,25,26)/t11-/m1/s1
Affinity DataIC50: 0.400nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531223((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O/c1-11-8-16(22-13-4-3-7-25(2)10-13)23-24-17(11)14-6-5-12(9-15(14)26)18(19,20)21/h5-6,8-9,13,26H,3-4,7,10H2,1-2H3,(H,22,23)/t13-/m1/s1
Affinity DataIC50: 0.400nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM65497(CC-220 (Compound 6) | US9694015, 6.4S)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
Affinity DataIC50: 0.460nMT: 2°CAssay Description:The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...More data for this Ligand-Target Pair
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531253(US11208399, Example 12)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O/c1-11-8-12(18(19,20)21)9-15(26)17(11)14-5-6-16(24-23-14)22-13-4-3-7-25(2)10-13/h5-6,8-9,13,26H,3-4,7,10H2,1-2H3,(H,22,24)/t13-/m1/s1
Affinity DataIC50: 0.600nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531331(US11208399, Example 82)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O
Show InChI InChI=1S/C18H21F3N4O2/c1-11-8-16(22-12-4-3-7-25(2)10-12)23-24-17(11)14-6-5-13(9-15(14)26)27-18(19,20)21/h5-6,8-9,12,26H,3-4,7,10H2,1-2H3,(H,22,23)/t12-/m1/s1
Affinity DataIC50: 0.700nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531319(US11208399, Example 71)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O
Show InChI InChI=1S/C17H21ClN4O/c1-11-8-16(19-13-4-3-7-22(2)10-13)20-21-17(11)14-6-5-12(18)9-15(14)23/h5-6,8-9,13,23H,3-4,7,10H2,1-2H3,(H,19,20)/t13-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531288(US11208399, Example 47)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O
Show InChI InChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(21-20-15)19-14-5-4-8-22(3)11-14/h6-7,9-10,14,23H,4-5,8,11H2,1-3H3,(H,19,21)/t14-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531220((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...)
Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O/c1-3-26-8-4-5-14(11-26)23-17-7-6-15(24-25-17)18-12(2)9-13(10-16(18)27)19(20,21)22/h6-7,9-10,14,27H,3-5,8,11H2,1-2H3,(H,23,25)/t14-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531289(US11208399, Example 48)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O/c1-11-12(2)18(23-14-5-4-8-26(3)10-14)25-24-17(11)15-7-6-13(9-16(15)27)19(20,21)22/h6-7,9,14,27H,4-5,8,10H2,1-3H3,(H,23,25)/t14-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531332(US11208399, Example 83a)
Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1
Show InChI InChI=1S/C20H23F3N4O2/c1-12-10-13(29-20(21,22)23)11-17(28)19(12)15-6-7-18(26-25-15)24-14-4-2-8-27-9-3-5-16(14)27/h6-7,10-11,14,16,28H,2-5,8-9H2,1H3,(H,24,26)/t14-,16-/m1/s1
Affinity DataIC50: 0.800nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM77001(3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoisoin...)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)
Affinity DataIC50: 0.850nMT: 2°CAssay Description:The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...More data for this Ligand-Target Pair
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531230(US11208399, Example 6)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O2/c1-12-9-13(19(20,21)22)10-16(28)18(12)15-4-5-17(25-24-15)23-14-3-2-6-26(11-14)7-8-27/h4-5,9-10,14,27-28H,2-3,6-8,11H2,1H3,(H,23,25)/t14-/m1/s1
Affinity DataIC50: 0.900nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531254(US11208399, Example 13)
Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c1-12-8-14(20(21,22)23)10-17(29)18(12)16-9-13(2)19(26-25-16)24-15-4-3-5-27(11-15)6-7-28/h8-10,15,28-29H,3-7,11H2,1-2H3,(H,24,26)/t15-/m1/s1
Affinity DataIC50: 1.20nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531252(US11208399, Example 11)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H22F3N5O/c1-3-28-6-4-5-15(11-28)25-19-13(10-24)8-16(26-27-19)18-12(2)7-14(9-17(18)29)20(21,22)23/h7-9,15,29H,3-6,11H2,1-2H3,(H,25,27)/t15-/m1/s1
Affinity DataIC50: 1.30nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531337(3-Methyl-2-(6-(((1R,2R,5R)-8-methyl-8-azabicyclo[3...)
Show SMILES CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O/c1-11-9-12(20(21,22)23)10-17(28)19(11)15-6-8-18(26-25-15)24-14-5-3-13-4-7-16(14)27(13)2/h6,8-10,13-14,16,28H,3-5,7H2,1-2H3,(H,24,26)
Affinity DataIC50: 1.30nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531291(US11208399, Example 49)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H18ClF3N4O/c1-25-6-2-3-11(9-25)22-15-5-4-13(23-24-15)16-12(18)7-10(8-14(16)26)17(19,20)21/h4-5,7-8,11,26H,2-3,6,9H2,1H3,(H,22,24)/t11-/m1/s1
Affinity DataIC50: 1.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531354(2-(6-(((3S, 5S)-5-Fluoro-1-methylpiperidin-3-yl)am...)
Show SMILES CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C18H20F4N4O/c1-10-5-11(18(20,21)22)6-15(27)17(10)14-3-4-16(25-24-14)23-13-7-12(19)8-26(2)9-13/h3-6,12-13,27H,7-9H2,1-2H3,(H,23,25)/t12-,13-/m0/s1
Affinity DataIC50: 1.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531339(2-(6-(((1S,2S,5S)-8-(2-Hydroxyethyl)-8-azabicyclo[...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O2/c1-12-10-13(21(22,23)24)11-18(30)20(12)16-5-7-19(27-26-16)25-15-4-2-14-3-6-17(15)28(14)8-9-29/h5,7,10-11,14-15,17,29-30H,2-4,6,8-9H2,1H3,(H,25,27)
Affinity DataIC50: 1.80nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531232(US11208399, Example 7)
Show SMILES CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O/c1-12(2)27-8-4-5-15(11-27)24-18-7-6-16(25-26-18)19-13(3)9-14(10-17(19)28)20(21,22)23/h6-7,9-10,12,15,28H,4-5,8,11H2,1-3H3,(H,24,26)
Affinity DataIC50: 1.90nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531364((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)-5-methylpy...)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O/c1-4-27-7-5-6-15(11-27)24-19-13(3)9-16(25-26-19)18-12(2)8-14(10-17(18)28)20(21,22)23/h8-10,15,28H,4-7,11H2,1-3H3,(H,24,26)/t15-/m1/s1
Affinity DataIC50: 1.90nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531292(US11208399, Example 50)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(C)cc1O)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O/c1-11-5-6-13(15(26)8-11)17-14(18(19,20)21)9-16(23-24-17)22-12-4-3-7-25(2)10-12/h5-6,8-9,12,26H,3-4,7,10H2,1-2H3,(H,22,23)/t12-/m1/s1
Affinity DataIC50: 2.30nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531293(US11208399, Example 51)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1C(F)(F)F
Show InChI InChI=1S/C17H18ClF3N4O/c1-25-6-2-3-11(9-25)22-15-5-4-13(23-24-15)16-12(17(19,20)21)7-10(18)8-14(16)26/h4-5,7-8,11,26H,2-3,6,9H2,1H3,(H,22,24)/t11-/m1/s1
Affinity DataIC50: 2.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531323(US11208399, Example 74)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCNC2)nn1)C(F)(F)F
Show InChI InChI=1S/C17H19F3N4O/c1-10-7-11(17(18,19)20)8-14(25)16(10)13-4-5-15(24-23-13)22-12-3-2-6-21-9-12/h4-5,7-8,12,21,25H,2-3,6,9H2,1H3,(H,22,24)/t12-/m1/s1
Affinity DataIC50: 2.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531282(US11208399, Example 41)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC(NC2)C(O)=O)nn1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3/c1-9-6-10(18(19,20)21)7-14(26)16(9)12-4-5-15(25-24-12)23-11-2-3-13(17(27)28)22-8-11/h4-7,11,13,22,26H,2-3,8H2,1H3,(H,23,25)(H,27,28)
Affinity DataIC50: 3nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531224((R)-3-Methyl-2-(5-methyl-6-((1-methylpiperidin-3-y...)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O/c1-11-7-13(19(20,21)22)9-16(27)17(11)15-8-12(2)18(25-24-15)23-14-5-4-6-26(3)10-14/h7-9,14,27H,4-6,10H2,1-3H3,(H,23,25)/t14-/m1/s1
Affinity DataIC50: 3nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531286(US11208399, Example 45)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1Cl
Show InChI InChI=1S/C16H18Cl2N4O/c1-22-6-2-3-11(9-22)19-15-5-4-13(20-21-15)16-12(18)7-10(17)8-14(16)23/h4-5,7-8,11,23H,2-3,6,9H2,1H3,(H,19,21)/t11-/m1/s1
Affinity DataIC50: 3.20nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531279(US11208399, Example 39)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H18F6N4O/c1-28-6-2-3-11(9-28)25-15-5-4-13(26-27-15)16-12(18(22,23)24)7-10(8-14(16)29)17(19,20)21/h4-5,7-8,11,29H,2-3,6,9H2,1H3,(H,25,27)/t11-/m1/s1
Affinity DataIC50: 3.20nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531350(2-(6-(((R)-1-((S)-2-Hydroxypropyl)piperidin-3-yl)a...)
Show SMILES C[C@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c1-12-8-14(20(21,22)23)9-17(29)19(12)16-5-6-18(26-25-16)24-15-4-3-7-27(11-15)10-13(2)28/h5-6,8-9,13,15,28-29H,3-4,7,10-11H2,1-2H3,(H,24,26)/t13-,15+/m0/s1
Affinity DataIC50: 3.30nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531318(US11208399, Example 70)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(Cl)cc1O)C(F)(F)F
Show InChI InChI=1S/C17H18ClF3N4O/c1-25-6-2-3-11(9-25)22-15-8-13(17(19,20)21)16(24-23-15)12-5-4-10(18)7-14(12)26/h4-5,7-8,11,26H,2-3,6,9H2,1H3,(H,22,23)/t11-/m1/s1
Affinity DataIC50: 3.5nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531351(2-(6-(((R)-1-((R)-2-Hydroxypropyl)piperidin-3-yl)a...)
Show SMILES C[C@@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2/c1-12-8-14(20(21,22)23)9-17(29)19(12)16-5-6-18(26-25-16)24-15-4-3-7-27(11-15)10-13(2)28/h5-6,8-9,13,15,28-29H,3-4,7,10-11H2,1-2H3,(H,24,26)/t13-,15-/m1/s1
Affinity DataIC50: 3.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531329(US11208399, Example 80)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CC(C)(C)O)C2)nn1)C(F)(F)F
Show InChI InChI=1S/C21H27F3N4O2/c1-13-9-14(21(22,23)24)10-17(29)19(13)16-6-7-18(27-26-16)25-15-5-4-8-28(11-15)12-20(2,3)30/h6-7,9-10,15,29-30H,4-5,8,11-12H2,1-3H3,(H,25,27)/t15-/m1/s1
Affinity DataIC50: 4.70nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531310(US11208399, Example 64)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C(F)(F)F)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C19H20F6N4O/c1-10-6-11(18(20,21)22)7-15(30)16(10)14-8-13(19(23,24)25)17(28-27-14)26-12-4-3-5-29(2)9-12/h6-8,12,30H,3-5,9H2,1-2H3,(H,26,28)/t12-/m1/s1
Affinity DataIC50: 5.90nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531363((R)-3-Methyl-2-(5-methyl-6-(piperidin-3-ylamino)py...)
Show SMILES Cc1cc(nnc1N[C@@H]1CCCNC1)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O/c1-10-6-12(18(19,20)21)8-15(26)16(10)14-7-11(2)17(25-24-14)23-13-4-3-5-22-9-13/h6-8,13,22,26H,3-5,9H2,1-2H3,(H,23,25)/t13-/m1/s1
Affinity DataIC50: 6nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM77015((R)-3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoi...)
Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O
Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m1/s1
Affinity DataIC50: 6.20nMT: 2°CAssay Description:The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...More data for this Ligand-Target Pair
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531340(2-(6-(((3R,6R)-6-(Hydroxymethyl)-1-methylpiperidin...)
Show SMILES CN1C[C@H](CC[C@@H]1CO)Nc1ccc(nn1)-c1c(C)cc(OC(F)(F)F)cc1O
Show InChI InChI=1S/C19H23F3N4O3/c1-11-7-14(29-19(20,21)22)8-16(28)18(11)15-5-6-17(25-24-15)23-12-3-4-13(10-27)26(2)9-12/h5-8,12-13,27-28H,3-4,9-10H2,1-2H3,(H,23,25)/t12-,13+/m0/s1
Affinity DataIC50: 6.30nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531352(2-(6-(((3S,5S)-5-Fluoropiperidin-3-yl)amino)pyrida...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CNC[C@@H](F)C2)nn1)C(F)(F)F
Show InChI InChI=1S/C17H18F4N4O/c1-9-4-10(17(19,20)21)5-14(26)16(9)13-2-3-15(25-24-13)23-12-6-11(18)7-22-8-12/h2-5,11-12,22,26H,6-8H2,1H3,(H,23,25)/t11-,12-/m0/s1
Affinity DataIC50: 6.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531280(US11208399, Example 40)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O/c1-11-8-14(20(21,22)23)9-16(28)17(11)18-12(2)13(3)19(26-25-18)24-15-6-5-7-27(4)10-15/h8-9,15,28H,5-7,10H2,1-4H3,(H,24,26)/t15-/m1/s1
Affinity DataIC50: 6.80nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531311(US11208399, Example 65)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1ccc(cc1O)C(F)(F)F
Show InChI InChI=1S/C18H21F3N4O/c1-11-8-15(14-6-5-12(9-16(14)26)18(19,20)21)23-24-17(11)22-13-4-3-7-25(2)10-13/h5-6,8-9,13,26H,3-4,7,10H2,1-2H3,(H,22,24)/t13-/m1/s1
Affinity DataIC50: 7.40nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531360((3S,5R)-5-((6-(2-Hydroxy-6-methyl-4-(trifluorometh...)
Show SMILES CN1C[C@@H](O)C[C@H](C1)NC1=N[H]=C(C=C1)c1c(C)cc(cc1O)C(F)(F)F
Show InChI InChI=1S/C18H22F3N3O2/c1-10-5-11(18(19,20)21)6-14(26)17(10)15-3-4-16(23-27-15)22-12-7-13(25)9-24(2)8-12/h3-6,12-13,25-26H,7-9H2,1-2H3,(H,22,23)/t12-,13+/m1/s1
Affinity DataIC50: 7.60nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand Info
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM531302(US11208399, Example 56)
Show SMILES Cc1cc(cc(O)c1-c1cc(c(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H17F6N3O2/c1-8-3-9(17(19,20)21)4-13(28)14(8)12-5-11(18(22,23)24)15(27-26-12)25-10-6-16(2,29)7-10/h3-5,10,28-29H,6-7H2,1-2H3,(H,25,27)/t10-,16+
Affinity DataIC50: 8.30nMAssay Description:Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398233(4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(pip...)
Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCCCN3)c3cccc(Cl)c23)CC1
Show InChI InChI=1S/C22H28ClF2N3O/c23-18-5-3-6-19-20(18)17(14-28(19)13-16-4-1-2-11-26-16)21(29)27-12-15-7-9-22(24,25)10-8-15/h3,5-6,14-16,26H,1-2,4,7-13H2,(H,27,29)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398220(4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-((1-...)
Show SMILES CC(C)(C)OC(=O)N1CCCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12
Show InChI InChI=1S/C26H34ClF2N3O3/c1-25(2,3)35-24(34)32-13-5-6-18(32)15-31-16-19(22-20(27)7-4-8-21(22)31)23(33)30-14-17-9-11-26(28,29)12-10-17/h4,7-8,16-18H,5-6,9-15H2,1-3H3,(H,30,33)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398233(4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(pip...)
Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCCCN3)c3cccc(Cl)c23)CC1
Show InChI InChI=1S/C22H28ClF2N3O/c23-18-5-3-6-19-20(18)17(14-28(19)13-16-4-1-2-11-26-16)21(29)27-12-15-7-9-22(24,25)10-8-15/h3,5-6,14-16,26H,1-2,4,7-13H2,(H,27,29)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398219(4-chloro-N-((3,3-difluoro-5-methylcyclohexyl)methy...)
Show SMILES CC1CC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CC(F)(F)C1
Show InChI InChI=1S/C22H28ClF2N3O/c1-14-8-15(10-22(24,25)9-14)11-27-21(29)17-13-28(12-16-4-3-7-26-16)19-6-2-5-18(23)20(17)19/h2,5-6,13-16,26H,3-4,7-12H2,1H3,(H,27,29)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398218(4-chloro-N-((3,3-difluorocyclohexyl)methyl)-1-(pyr...)
Show SMILES FC1(F)CCCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)C1
Show InChI InChI=1S/C21H26ClF2N3O/c22-17-6-1-7-18-19(17)16(13-27(18)12-15-5-3-9-25-15)20(28)26-11-14-4-2-8-21(23,24)10-14/h1,6-7,13-15,25H,2-5,8-12H2,(H,26,28)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398217(4-chloro-N-((3, 3-difluoro-1-hydroxycyclohexyl)met...)
Show SMILES OC1(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CCCC(F)(F)C1
Show InChI InChI=1S/C21H26ClF2N3O2/c22-16-5-1-6-17-18(16)15(11-27(17)10-14-4-2-9-25-14)19(28)26-13-20(29)7-3-8-21(23,24)12-20/h1,5-6,11,14,25,29H,2-4,7-10,12-13H2,(H,26,28)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398117(4-chloro-1-(oxetan-3-yl)-N-((1-(4-phenylpiperazin-...)
Show SMILES Clc1cccc2n(cc(C(=O)NCC3(CCCCC3)N3CCN(CC3)c3ccccc3)c12)C1COC1
Show InChI InChI=1S/C29H35ClN4O2/c30-25-10-7-11-26-27(25)24(18-34(26)23-19-36-20-23)28(35)31-21-29(12-5-2-6-13-29)33-16-14-32(15-17-33)22-8-3-1-4-9-22/h1,3-4,7-11,18,23H,2,5-6,12-17,19-21H2,(H,31,35)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM398106(Preparations of 4-chloro-N-((4,4-difluorocyclohexy...)
Show SMILES COCCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12
Show InChI InChI=1S/C19H23ClF2N2O2/c1-26-10-9-24-12-14(17-15(20)3-2-4-16(17)24)18(25)23-11-13-5-7-19(21,22)8-6-13/h2-4,12-13H,5-11H2,1H3,(H,23,25)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 beta(Homo sapiens (Human))
Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database
LigandPNGBDBM450448(US10676433, Compound 158 | US10676433, Compound 76)
Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CC1
Show InChI InChI=1S/C21H26ClF2N3O/c22-17-4-1-5-18-19(17)16(13-27(18)12-15-3-2-10-25-15)20(28)26-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15,25H,2-3,6-12H2,(H,26,28)
Affinity DataIC50: 10nMAssay Description:The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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