Compile Data Set for Download or QSAR
Found 22 Enz. Inhib. hit(s) with all data for entry = 9805
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223010(US10034939, Example 12 | US10967060, Example 12 | ...)
Show SMILES CS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C14H16F4N6O4S/c1-29(26,27)20-6-2-5-19-12-11(23-28-24-12)13(22-25)21-8-3-4-10(15)9(7-8)14(16,17)18/h3-4,7,20,25H,2,5-6H2,1H3,(H,19,24)(H,21,22)
Affinity DataIC50: 100nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223009(US10034939, Example 11 | US10967060, Example 11 | ...)
Show SMILES NS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C13H15F4N7O4S/c14-9-3-2-7(6-8(9)13(15,16)17)21-12(22-25)10-11(24-28-23-10)19-4-1-5-20-29(18,26)27/h2-3,6,20,25H,1,4-5H2,(H,19,24)(H,21,22)(H2,18,26,27)
Affinity DataIC50: 100nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223008(US10034939, Example 10 | US10967060, Example 10 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C13H14F4N6O4S/c1-28(25,26)19-5-4-18-11-10(22-27-23-11)12(21-24)20-7-2-3-9(14)8(6-7)13(15,16)17/h2-3,6,19,24H,4-5H2,1H3,(H,18,23)(H,20,21)
Affinity DataIC50: 100nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223007(US10034939, Example 9 | US10967060, Example 9 | US...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C12H13F4N7O4S/c13-8-2-1-6(5-7(8)12(14,15)16)20-11(21-24)9-10(23-27-22-9)18-3-4-19-28(17,25)26/h1-2,5,19,24H,3-4H2,(H,18,23)(H,20,21)(H2,17,25,26)
Affinity DataIC50: 100nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223002(US10034939, Example 4 | US10967060, Example 4 | US...)
Show SMILES CS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO
Show InChI InChI=1S/C13H16BrFN6O4S/c1-26(23,24)17-6-2-5-16-12-11(20-25-21-12)13(19-22)18-8-3-4-10(15)9(14)7-8/h3-4,7,17,22H,2,5-6H2,1H3,(H,16,21)(H,18,19)
Affinity DataIC50: 100nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223001(US10034939, Example 3 | US10967060, Example 3 | US...)
Show SMILES NS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO
Show InChI InChI=1S/C12H15BrFN7O4S/c13-8-6-7(2-3-9(8)14)18-12(19-22)10-11(21-25-20-10)16-4-1-5-17-26(15,23)24/h2-3,6,17,22H,1,4-5H2,(H,16,21)(H,18,19)(H2,15,23,24)
Affinity DataIC50: 100nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223006(US10034939, Example 8 | US10967060, Example 8 | US...)
Show SMILES CS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO
Show InChI InChI=1S/C13H16ClFN6O4S/c1-26(23,24)17-6-2-5-16-12-11(20-25-21-12)13(19-22)18-8-3-4-10(15)9(14)7-8/h3-4,7,17,22H,2,5-6H2,1H3,(H,16,21)(H,18,19)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223005(US10034939, Example 7 | US10967060, Example 7 | US...)
Show SMILES NS(=O)(=O)NCCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO
Show InChI InChI=1S/C12H15ClFN7O4S/c13-8-6-7(2-3-9(8)14)18-12(19-22)10-11(21-25-20-10)16-4-1-5-17-26(15,23)24/h2-3,6,17,22H,1,4-5H2,(H,16,21)(H,18,19)(H2,15,23,24)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223004(US10034939, Example 6 | US10967060, Example 6 | US...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO
Show InChI InChI=1S/C12H14ClFN6O4S/c1-25(22,23)16-5-4-15-11-10(19-24-20-11)12(18-21)17-7-2-3-9(14)8(13)6-7/h2-3,6,16,21H,4-5H2,1H3,(H,15,20)(H,17,18)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223003(US10034939, Example 5 | US10967060, Example 5 | US...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Cl)c1)=NO
Show InChI InChI=1S/C11H13ClFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM279195(4-(2-[(Aminosulfonyl)(methyl)amino]ethylamino)-N-(...)
Show SMILES CN(CCNc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O)S(N)(=O)=O
Show InChI InChI=1S/C12H15ClFN7O4S/c1-21(26(15,23)24)5-4-16-11-10(19-25-20-11)12(18-22)17-7-2-3-9(14)8(13)6-7/h2-3,6,22H,4-5H2,1H3,(H,16,20)(H,17,18)(H2,15,23,24)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM222999(US10034864, Example 1 | US10967060, Example 1 | US...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223000(US10034939, Example 2 | US10967060, Example 2 | US...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(Br)c1)=NO
Show InChI InChI=1S/C12H14BrFN6O4S/c1-25(22,23)16-5-4-15-11-10(19-24-20-11)12(18-21)17-7-2-3-9(14)8(13)6-7/h2-3,6,16,21H,4-5H2,1H3,(H,15,20)(H,17,18)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223014(US10034939, Example 16 | US10967060, Example 16 | ...)
Show SMILES CS(=O)(=O)NCCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C14H17F3N6O4S/c1-28(25,26)19-7-3-6-18-12-11(22-27-23-12)13(21-24)20-10-5-2-4-9(8-10)14(15,16)17/h2,4-5,8,19,24H,3,6-7H2,1H3,(H,18,23)(H,20,21)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223013(US10034939, Example 15 | US10967060, Example 15 | ...)
Show SMILES NS(=O)(=O)NCCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C13H16F3N7O4S/c14-13(15,16)8-3-1-4-9(7-8)20-12(21-24)10-11(23-27-22-10)18-5-2-6-19-28(17,25)26/h1,3-4,7,19,24H,2,5-6H2,(H,18,23)(H,20,21)(H2,17,25,26)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223012(US10034864, Example 14 | US10967060, Example 14 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C13H15F3N6O4S/c1-27(24,25)18-6-5-17-11-10(21-26-22-11)12(20-23)19-9-4-2-3-8(7-9)13(14,15)16/h2-4,7,18,23H,5-6H2,1H3,(H,17,22)(H,19,20)
Affinity DataIC50: 200nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223015(US10034939, Example 17 | US10967060, Example 17 | ...)
Show SMILES Cc1cc(NC(=NO)c2nonc2NCCNS(C)(=O)=O)ccc1F
Show InChI InChI=1S/C13H17FN6O4S/c1-8-7-9(3-4-10(8)14)17-13(18-21)11-12(20-24-19-11)15-5-6-16-25(2,22)23/h3-4,7,16,21H,5-6H2,1-2H3,(H,15,20)(H,17,18)
Affinity DataIC50: 500nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223018(US10034939, Example 20 | US10967060, Example 20 | ...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(NCc1cc(Br)co1)=NO
Show InChI InChI=1S/C10H14BrN7O5S/c11-6-3-7(22-5-6)4-14-9(16-19)8-10(18-23-17-8)13-1-2-15-24(12,20)21/h3,5,15,19H,1-2,4H2,(H,13,18)(H,14,16)(H2,12,20,21)
Affinity DataIC50: 500nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223017(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
Affinity DataIC50: 500nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223011(US10034939, Example 13 | US10967060, Example 13 | ...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(Nc1cccc(c1)C(F)(F)F)=NO
Show InChI InChI=1S/C12H14F3N7O4S/c13-12(14,15)7-2-1-3-8(6-7)19-11(20-23)9-10(22-26-21-9)17-4-5-18-27(16,24)25/h1-3,6,18,23H,4-5H2,(H,17,22)(H,19,20)(H2,16,24,25)
Affinity DataIC50: 500nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM223016(US10034939, Example 18 | US10967060, Example 18 | ...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO
Show InChI InChI=1S/C12H13FN8O4S/c13-9-2-1-8(5-7(9)6-14)18-12(19-22)10-11(21-25-20-10)16-3-4-17-26(15,23)24/h1-2,5,17,22H,3-4H2,(H,16,21)(H,18,19)(H2,15,23,24)
Affinity DataIC50: 750nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetIndoleamine 2,3-dioxygenase 1(Homo sapiens (Human))
The University of Chicago

US Patent
LigandPNGBDBM279193(4-({2-[(Aminosulfonyl)amino]ethyl}amino)-N-[(4-chl...)
Show SMILES NS(=O)(=O)NCCNc1nonc1C(NCc1cc(Cl)co1)=NO
Show InChI InChI=1S/C10H14ClN7O5S/c11-6-3-7(22-5-6)4-14-9(16-19)8-10(18-23-17-8)13-1-2-15-24(12,20)21/h3,5,15,19H,1-2,4H2,(H,13,18)(H,14,16)(H2,12,20,21)
Affinity DataIC50: 750nMAssay Description:Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid