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Patent code US10233190

Compile Data Set for Download or QSAR
Found 160 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370428
PNG
(US10233190, Example 1300 | tert-butyl (4-(2-(5H-im...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C23H23N3O3/c1-23(2,3)29-22(28)25-16-10-8-15(9-11-16)21(27)12-19-17-6-4-5-7-18(17)20-13-24-14-26(19)20/h4-11,13-14,19H,12H2,1-3H3,(H,25,28)
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n/an/a 550n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370433
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(3- nitrophen...)
Show SMILES O=[NH+]c1cccc(c1)C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H13N3O2/c22-18(12-4-3-5-13(8-12)20-23)9-16-14-6-1-2-7-15(14)17-10-19-11-21(16)17/h1-8,10-11,16H,9H2/p+1
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370438
PNG
(US10233190, Example 1329 | tert-butyl (2-(1-hydrox...)
Show SMILES CC(C)(C)OC(=O)Nc1ccccc1C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C23H25N3O3/c1-23(2,3)29-22(28)25-18-11-7-6-10-17(18)21(27)12-19-15-8-4-5-9-16(15)20-13-24-14-26(19)20/h4-11,13-14,19,21,27H,12H2,1-3H3,(H,25,28)
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370456
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES NC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H23N3/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370465
PNG
(1-cyclohexyl-2-(8-fluoro-5H-imidazo[5,1- a]isoindo...)
Show SMILES OC(CC1c2ccc(F)cc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21FN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370425
PNG
(2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES Clc1cccc2-c3cncn3C(CC(=O)C3CCCCC3)c12
Show InChI InChI=1/C18H19ClN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15H,1-3,5-6,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370456
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES NC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H23N3/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370480
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (fu...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)c1ccco1
Show InChI InChI=1/C16H13FN2O2/c17-11-4-1-3-10-13-8-18-9-19(13)12(16(10)11)7-14(20)15-5-2-6-21-15/h1-6,8-9,12,14,20H,7H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370483
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)pr...)
Show SMILES CC(C(O)C1CCCCC1)C1c2ccccc2-c2cncn12
Show InChI InChI=1/C19H24N2O/c1-13(19(22)14-7-3-2-4-8-14)18-16-10-6-5-9-15(16)17-11-20-12-21(17)18/h5-6,9-14,18-19,22H,2-4,7-8H2,1H3
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138830
PNG
(CHEMBL3752659 | US10233190, Example 1415)
Show SMILES O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18-/s2
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US Patent
n/an/a 550n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370500
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- ylide...)
Show SMILES OC(C=c1c2ccccc2c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-13,18,21H,1-3,6-7H2/b16-10-
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370508
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES O=C(Nc1ccccc1)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C25H27N3O2/c29-25(27-19-11-5-2-6-12-19)30-24(18-9-3-1-4-10-18)15-22-20-13-7-8-14-21(20)23-16-26-17-28(22)23/h2,5-8,11-14,16-18,22,24H,1,3-4,9-10,15H2,(H,27,29)
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370528
PNG
((2S)-2-amino-1-(4-(1-hydroxy-2-(5H- imidazo[5,1-a]...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C26H30N4O2/c27-22(14-18-6-2-1-3-7-18)26(32)29-12-10-19(11-13-29)25(31)15-23-20-8-4-5-9-21(20)24-16-28-17-30(23)24/h1-9,16-17,19,22-23,25,31H,10-15,27H2/t22-,23?,25?/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370556
PNG
((1R,4r)-4-((R)-2-((R)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17-/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370558
PNG
(1-(4-((R)-1-hydroxy-2-((R)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(15-22-20-8-4-5-9-21(20)23-16-26-17-28(22)23)19-10-12-27(13-11-19)25(30)14-18-6-2-1-3-7-18/h1-9,16-17,19,22,24,29H,10-15H2/t22-,24-/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370435
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2- nitrophen...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H13N3O3/c22-18(14-7-3-4-8-15(14)21(23)24)9-16-12-5-1-2-6-13(12)17-10-19-11-20(16)17/h1-8,10-11,16H,9H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370447
PNG
(1-(2,4-dimethylfuran-3-yl)-2-(6-fluoro-5H- imidazo...)
Show SMILES Cc1coc(C)c1C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1/C18H17FN2O2/c1-10-8-23-11(2)17(10)16(22)6-14-18-12(4-3-5-13(18)19)15-7-20-9-21(14)15/h3-5,7-9,14,16,22H,6H2,1-2H3
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370458
PNG
(1-(3-aminophenyl)-2-(5H-imidazo[5,1- a]isoindol-5-...)
Show SMILES Nc1cccc(c1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H17N3O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9,19H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370463
PNG
(2-(8-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES OC(CC1c2ccc(Cl)cc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21ClN2O/c19-13-6-7-14-15(8-13)17-10-20-11-21(17)16(14)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370479
PNG
(1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...)
Show SMILES CC(C)(C)C(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H29N3O2/c1-22(2,3)21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370536
PNG
(US10233190, Example 1469 | tert-butyl 4-((S)-1-hyd...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](O)C[C@@H]1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H29N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3/t18-,20+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370537
PNG
(US10233190, Example 1470 | tert-butyl 4-((R)-1-hyd...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@H](O)C[C@@H]1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H29N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3/t18-,20-/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370420
PNG
(US10233190, Example 1256 | ethyl 2-(5H-imidazo[5,1...)
Show SMILES CCOC(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C14H14N2O2/c1-2-18-14(17)7-12-10-5-3-4-6-11(10)13-8-15-9-16(12)13/h3-6,8-9,12H,2,7H2,1H3
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370426
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl 2- (((1R,2...)
Show SMILES CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)OCCC1c2ccccc2-c2cncn12
Show InChI InChI=1/C24H32N2O3/c1-16(2)18-9-8-17(3)12-23(18)29-14-24(27)28-11-10-21-19-6-4-5-7-20(19)22-13-25-15-26(21)22/h4-7,13,15-18,21,23H,8-12,14H2,1-3H3/t17-,18+,21?,23+/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370453
PNG
((Z)-1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol- 5-y...)
Show SMILES O\N=C(\CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21N3O/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2/b20-16-
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370457
PNG
(US10233190, Example 1367 | tert-butyl (3-(1-hydrox...)
Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C23H25N3O3/c1-23(2,3)29-22(28)25-16-8-6-7-15(11-16)21(27)12-19-17-9-4-5-10-18(17)20-13-24-14-26(19)20/h4-11,13-14,19,21,27H,12H2,1-3H3,(H,25,28)
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370466
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (1,...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC2(CC1)OCCO2
Show InChI InChI=1/C20H23FN2O3/c21-15-3-1-2-14-17-11-22-12-23(17)16(19(14)15)10-18(24)13-4-6-20(7-5-13)25-8-9-26-20/h1-3,11-13,16,18,24H,4-10H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370513
PNG
(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES CS(=O)(=O)NCCNC(=O)C1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H30N4O4S/c1-31(29,30)25-11-10-24-22(28)16-8-6-15(7-9-16)21(27)12-19-17-4-2-3-5-18(17)20-13-23-14-26(19)20/h2-5,13-16,19,21,25,27H,6-12H2,1H3,(H,24,28)
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370543
PNG
(4-((S)-1-hydroxy-2-((R)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)/t21-,23+/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370544
PNG
(4-((R)-1-hydroxy-2-((R)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)/t21-,23-/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370554
PNG
((1S,4r)-4-((S)-2-((R)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370569
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(pyridin-2- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccccn1
Show InChI InChI=1/C17H15N3O/c21-17(14-7-3-4-8-19-14)9-15-12-5-1-2-6-13(12)16-10-18-11-20(15)16/h1-8,10-11,15,17,21H,9H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370419
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol | US1023...)
Show SMILES OCCC1c2ccccc2-c2cncn12
Show InChI InChI=1/C12H12N2O/c15-6-5-11-9-3-1-2-4-10(9)12-7-13-8-14(11)12/h1-4,7-8,11,15H,5-6H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370442
PNG
(1-(5H-imidazo[5,1-a]isoindol-5-yl)-2- methylpropan...)
Show SMILES CC(C)(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C14H16N2O/c1-14(2,17)7-12-10-5-3-4-6-11(10)13-8-15-9-16(12)13/h3-6,8-9,12,17H,7H2,1-2H3
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370448
PNG
(1-(3-chlorophenyl)-2-(5H-imidazo[5,1- a]isoindol-5...)
Show SMILES Clc1cccc(c1)C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H13ClN2O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16H,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370478
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(thiazol-5- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1cncs1
Show InChI InChI=1/C15H13N3OS/c19-14(15-7-17-9-20-15)5-12-10-3-1-2-4-11(10)13-6-16-8-18(12)13/h1-4,6-9,12,14,19H,5H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370522
PNG
((2S)-1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol- 5-...)
Show SMILES O=C(OC(CC1c2ccccc2-c2cncn12)C1CCCCC1)[C@@H]1CCCN1
Show InChI InChI=1/C23H29N3O2/c27-23(19-11-6-12-25-19)28-22(16-7-2-1-3-8-16)13-20-17-9-4-5-10-18(17)21-14-24-15-26(20)21/h4-5,9-10,14-16,19-20,22,25H,1-3,6-8,11-13H2/t19-,20?,22?/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370441
PNG
(1-(2-chlorophenyl)-2-(5H-imidazo[5,1- a]isoindol-5...)
Show SMILES Clc1ccccc1C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H13ClN2O/c19-15-8-4-3-7-14(15)18(22)9-16-12-5-1-2-6-13(12)17-10-20-11-21(16)17/h1-8,10-11,16H,9H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370464
PNG
(1-(cyclohex-1-en-1-yl)-2-(5H-imidazo[5,1- a]isoind...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1=CCCCC1
Show InChI InChI=1/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-6,8-9,11-12,16,18,21H,1-3,7,10H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370472
PNG
(1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...)
Show SMILES CC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C19H23N3O2/c1-13(23)21-8-6-14(7-9-21)19(24)10-17-15-4-2-3-5-16(15)18-11-20-12-22(17)18/h2-5,11-12,14,17,19,24H,6-10H2,1H3
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138829
PNG
(CHEMBL3754097 | US10233190, Example 1416)
Show SMILES O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18+/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370509
PNG
(4-(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl...)
Show SMILES OC(=O)CCC(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C22H26N2O4/c25-21(26)10-11-22(27)28-20(15-6-2-1-3-7-15)12-18-16-8-4-5-9-17(16)19-13-23-14-24(18)19/h4-5,8-9,13-15,18,20H,1-3,6-7,10-12H2,(H,25,26)
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370527
PNG
((4-fluorophenyl)(4-(1-hydroxy-2-(5H- imidazo[5,1-a...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1/C24H24FN3O2/c25-18-7-5-17(6-8-18)24(30)27-11-9-16(10-12-27)23(29)13-21-19-3-1-2-4-20(19)22-14-26-15-28(21)22/h1-8,14-16,21,23,29H,9-13H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370549
PNG
((1R,4s)-4-((S)-2-((R)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12+,15-,17+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370445
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1- phenylethano...)
Show SMILES O=C(CC1c2ccccc2-c2cncn12)c1ccccc1
Show InChI InChI=1/C18H14N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h1-9,11-12,16H,10H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370541
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(pyridin-3- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1cccnc1
Show InChI InChI=1/C17H15N3O/c21-17(12-4-3-7-18-9-12)8-15-13-5-1-2-6-14(13)16-10-19-11-20(15)16/h1-7,9-11,15,17,21H,8H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370560
PNG
(1-(4-((S)-1-hydroxy-2-((R)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@@H](C[C@@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(15-22-20-8-4-5-9-21(20)23-16-26-17-28(22)23)19-10-12-27(13-11-19)25(30)14-18-6-2-1-3-7-18/h1-9,16-17,19,22,24,29H,10-15H2/t22-,24+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370437
PNG
(US10233190, Example 1328 | tert-butyl (2-(2-(5H-im...)
Show SMILES CC(C)(C)OC(=O)Nc1ccccc1C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C23H23N3O3/c1-23(2,3)29-22(28)25-18-11-7-6-10-17(18)21(27)12-19-15-8-4-5-9-16(15)20-13-24-14-26(19)20/h4-11,13-14,19H,12H2,1-3H3,(H,25,28)
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370439
PNG
(1-(2-aminophenyl)-2-(5H-imidazo[5,1- a]isoindol-5-...)
Show SMILES Nc1ccccc1C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H15N3O/c19-15-8-4-3-7-14(15)18(22)9-16-12-5-1-2-6-13(12)17-10-20-11-21(16)17/h1-8,10-11,16H,9,19H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138818
PNG
(CHEMBL3754460 | US10233190, Example 1356)
Show SMILES Fc1cccc2-c3cncn3C(CC(=O)C3CCCCC3)c12
Show InChI InChI=1/C18H19FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15H,1-3,5-6,9H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370516
PNG
(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(CC1)C(O)=O
Show InChI InChI=1/C19H22N2O3/c22-18(12-5-7-13(8-6-12)19(23)24)9-16-14-3-1-2-4-15(14)17-10-20-11-21(16)17/h1-4,10-13,16,18,22H,5-9H2,(H,23,24)
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370550
PNG
((1S,4s)-4-((R)-2-((R)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@H](C[C@@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12+,15-,17-/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370538
PNG
(US10233190, Example 1471 | tert-butyl 4-((R)-1-hyd...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@H](O)C[C@H]1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H29N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3/t18-,20+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370542
PNG
((1r,4r)-4-(2-(6-fluoro-5H-imidazo[5,1- a]isoindol-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15?,17?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370424
PNG
(2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES OC(CC1c2c(cccc2Cl)-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21ClN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370424
PNG
(2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES OC(CC1c2c(cccc2Cl)-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21ClN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370430
PNG
(US10233190, Example 1302 | tert-butyl (4-(1-hydrox...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C23H25N3O3/c1-23(2,3)29-22(28)25-16-10-8-15(9-11-16)21(27)12-19-17-6-4-5-7-18(17)20-13-24-14-26(19)20/h4-11,13-14,19,21,27H,12H2,1-3H3,(H,25,28)
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370446
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1- phenylethano...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccccc1
Show InChI InChI=1/C18H16N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h1-9,11-12,16,18,21H,10H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370470
PNG
(1-(4-(hydroxymethyl)cyclohexyl)-2-(5H- imidazo[5,1...)
Show SMILES OCC1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C19H24N2O2/c22-11-13-5-7-14(8-6-13)19(23)9-17-15-3-1-2-4-16(15)18-10-20-12-21(17)18/h1-4,10,12-14,17,19,22-23H,5-9,11H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370493
PNG
((E)-5-(2-cyclohexylvinyl)-5H-imidazo[5,1- a]isoind...)
Show SMILES C1CCC(CC1)\C=C\C1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H20N2/c1-2-6-14(7-3-1)10-11-17-15-8-4-5-9-16(15)18-12-19-13-20(17)18/h4-5,8-14,17H,1-3,6-7H2/b11-10+
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370494
PNG
(2-(9-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (4-...)
Show SMILES CC1CCC(CC1)C(O)CC1c2cccc(F)c2-c2cncn12
Show InChI InChI=1/C19H23FN2O/c1-12-5-7-13(8-6-12)18(23)9-16-14-3-2-4-15(20)19(14)17-10-21-11-22(16)17/h2-4,10-13,16,18,23H,5-9H2,1H3
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370519
PNG
(2-(4-fluorophenyl)-1-(4-(1-hydroxy-2-(5H- imidazo[...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1
Show InChI InChI=1/C25H26FN3O2/c26-19-7-5-17(6-8-19)13-25(31)28-11-9-18(10-12-28)24(30)14-22-20-3-1-2-4-21(20)23-15-27-16-29(22)23/h1-8,15-16,18,22,24,30H,9-14H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370534
PNG
(US10233190, Example 1460 | tert-butyl 3-(1-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N1CC(C1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C20H25N3O3/c1-20(2,3)26-19(25)22-10-13(11-22)18(24)8-16-14-6-4-5-7-15(14)17-9-21-12-23(16)17/h4-7,9,12-13,16,18,24H,8,10-11H2,1-3H3
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370545
PNG
(4-((R)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)/t21-,23+/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370546
PNG
(4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)/t21-,23-/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370557
PNG
(1-(4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)CC1CCOCC1
Show InChI InChI=1/C24H31N3O3/c28-23(14-21-19-3-1-2-4-20(19)22-15-25-16-27(21)22)18-5-9-26(10-6-18)24(29)13-17-7-11-30-12-8-17/h1-4,15-18,21,23,28H,5-14H2/t21-,23-/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370568
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(pyridin-4- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccncc1
Show InChI InChI=1/C17H15N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-8,10-11,15,17,21H,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370577
PNG
(2-(4-fluorophenyl)-1-(4-((R)-1-hydroxy-2-((S)- 5H-...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)cc1
Show InChI InChI=1/C25H26FN3O2/c26-19-7-5-17(6-8-19)13-25(31)28-11-9-18(10-12-28)24(30)14-22-20-3-1-2-4-21(20)23-15-27-16-29(22)23/h1-8,15-16,18,22,24,30H,9-14H2/t22-,24+/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370434
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(3- nitrophen...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1cccc(c1)[NH+]=O
Show InChI InChI=1/C18H15N3O2/c22-18(12-4-3-5-13(8-12)20-23)9-16-14-6-1-2-7-15(14)17-10-19-11-21(16)17/h1-8,10-11,16,18,22H,9H2/p+1
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370467
PNG
(4-(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)- 1-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1
Show InChI InChI=1/C18H19FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-11,15,17,23H,4-8H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370474
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (4-...)
Show SMILES CC1CCC(CC1)C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1/C19H23FN2O/c1-12-5-7-13(8-6-12)18(23)9-16-19-14(3-2-4-15(19)20)17-10-21-11-22(16)17/h2-4,10-13,16,18,23H,5-9H2,1H3
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370502
PNG
(1-(4-(2-(benzyloxy)ethylidene)cyclohexyl)-2- (5H-i...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(CC1)=CCOCc1ccccc1
Show InChI InChI=1/C27H30N2O2/c30-27(16-25-23-8-4-5-9-24(23)26-17-28-19-29(25)26)22-12-10-20(11-13-22)14-15-31-18-21-6-2-1-3-7-21/h1-9,14,17,19,22,25,27,30H,10-13,15-16,18H2/b20-14-
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370503
PNG
(1-(1-(benzylsulfonyl)piperidin-4-yl)-2-(5H- imidaz...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1/C24H27N3O3S/c28-24(14-22-20-8-4-5-9-21(20)23-15-25-17-27(22)23)19-10-12-26(13-11-19)31(29,30)16-18-6-2-1-3-7-18/h1-9,15,17,19,22,24,28H,10-14,16H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370525
PNG
((3-fluoro-2-hydroxyphenyl)(4-(1-hydroxy-2- (5H-imi...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)c1cccc(F)c1O
Show InChI InChI=1/C24H24FN3O3/c25-19-7-3-6-18(23(19)30)24(31)27-10-8-15(9-11-27)22(29)12-20-16-4-1-2-5-17(16)21-13-26-14-28(20)21/h1-7,13-15,20,22,29-30H,8-12H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370565
PNG
(1-((1r,4r)-4-(benzyloxy)cyclohexyl)-2-(5H- imidazo...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)OCc1ccccc1
Show InChI InChI=1/C25H28N2O2/c28-25(14-23-21-8-4-5-9-22(21)24-15-26-17-27(23)24)19-10-12-20(13-11-19)29-16-18-6-2-1-3-7-18/h1-9,15,17,19-20,23,25,28H,10-14,16H2/t19-,20-,23?,25?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370571
PNG
(N-cyclohexyl-4-((R)-1-hydroxy-2-((S)-5H- imidazo[5...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCCCC1
Show InChI InChI=1/C24H32N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,29H,1-3,6-7,10-14H2,(H,26,30)/t21-,23+/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370436
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(2- nitrophen...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccccc1[N+]([O-])=O
Show InChI InChI=1/C18H15N3O3/c22-18(14-7-3-4-8-15(14)21(23)24)9-16-12-5-1-2-6-13(12)17-10-19-11-20(16)17/h1-8,10-11,16,18,22H,9H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370451
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1- (tetrahydro-...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCOCC1
Show InChI InChI=1/C17H20N2O2/c20-17(12-5-7-21-8-6-12)9-15-13-3-1-2-4-14(13)16-10-18-11-19(15)16/h1-4,10-12,15,17,20H,5-9H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370469
PNG
(1-(cyclohex-3-en-1-yl)-2-(5H-imidazo[5,1- a]isoind...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC=CC1
Show InChI InChI=1/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h1-2,4-5,8-9,11-13,16,18,21H,3,6-7,10H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370491
PNG
(1-(4-(cyclopropylmethylene)cyclohexyl)-2-(6- fluor...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(CC1)=CC1CC1
Show InChI InChI=1/C22H25FN2O/c23-18-3-1-2-17-20-12-24-13-25(20)19(22(17)18)11-21(26)16-8-6-15(7-9-16)10-14-4-5-14/h1-3,10,12-14,16,19,21,26H,4-9,11H2/b15-10-
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370505
PNG
(2-(3,4-difluorophenyl)-1-(4-(1-hydroxy-2-(5H- imid...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccc(F)c(F)c1
Show InChI InChI=1/C25H25F2N3O2/c26-20-6-5-16(11-21(20)27)12-25(32)29-9-7-17(8-10-29)24(31)13-22-18-3-1-2-4-19(18)23-14-28-15-30(22)23/h1-6,11,14-15,17,22,24,31H,7-10,12-13H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370506
PNG
(US10233190, Example 1425 | cyclohexyl(4-(1-hydroxy...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1/C24H31N3O2/c28-23(14-21-19-8-4-5-9-20(19)22-15-25-16-27(21)22)17-10-12-26(13-11-17)24(29)18-6-2-1-3-7-18/h4-5,8-9,15-18,21,23,28H,1-3,6-7,10-14H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370517
PNG
(1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccncc1
Show InChI InChI=1/C24H26N4O2/c29-23(14-21-19-3-1-2-4-20(19)22-15-26-16-28(21)22)18-7-11-27(12-8-18)24(30)13-17-5-9-25-10-6-17/h1-6,9-10,15-16,18,21,23,29H,7-8,11-14H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370530
PNG
((1R,4s)-4-(2-((S)-6-fluoro-5H-imidazo[5,1- a]isoin...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@@H](CC1)OC(=O)c1ccccc1
Show InChI InChI=1/C25H25FN2O3/c26-20-8-4-7-19-22-14-27-15-28(22)21(24(19)20)13-23(29)16-9-11-18(12-10-16)31-25(30)17-5-2-1-3-6-17/h1-8,14-16,18,21,23,29H,9-13H2/t16-,18+,21?,23?
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370551
PNG
((1S,4s)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12+,15-,17+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370573
PNG
(1-((1r,4r)-4-(benzyloxy)cyclohexyl)-2-(5H- imidazo...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)OCc1ccccc1
Show InChI InChI=1/C25H28N2O2/c28-25(14-23-21-8-4-5-9-22(21)24-15-26-17-27(23)24)19-10-12-20(13-11-19)29-16-18-6-2-1-3-7-18/h1-9,15,17,19-20,23,25,28H,10-14,16H2/t19-,20-,23?,25?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370455
PNG
(US10233190, Example 1363 | tert-butyl 4-(1-hydroxy...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H29N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370460
PNG
(4-(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)- 1-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370471
PNG
((4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)e...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)c1cccs1
Show InChI InChI=1/C22H23N3O2S/c26-20(15-7-9-24(10-8-15)22(27)21-6-3-11-28-21)12-18-16-4-1-2-5-17(16)19-13-23-14-25(18)19/h1-6,11,13-15,18,20,26H,7-10,12H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370473
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4- methylene...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(=C)CC1
Show InChI InChI=1/C19H22N2O/c1-13-6-8-14(9-7-13)19(22)10-17-15-4-2-3-5-16(15)18-11-20-12-21(17)18/h2-5,11-12,14,17,19,22H,1,6-10H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370552
PNG
((1R,4s)-4-((S)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12+,15-,17-/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370559
PNG
(N-((1s,4s)-4-(1-hydroxy-2-(5H-imidazo[5,1- a]isoin...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-26-16-28(22)23)17-10-12-19(13-11-17)27-25(30)18-6-2-1-3-7-18/h1-9,15-17,19,22,24,29H,10-14H2,(H,27,30)/t17-,19+,22?,24?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370564
PNG
(4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C24H32N4O3/c29-18-7-5-17(6-8-18)26-24(31)27-11-9-16(10-12-27)23(30)13-21-19-3-1-2-4-20(19)22-14-25-15-28(21)22/h1-4,14-18,21,23,29-30H,5-13H2,(H,26,31)/t17-,18-,21-,23-/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370567
PNG
(1-(4-((R)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)CC1CCOCC1
Show InChI InChI=1/C24H31N3O3/c28-23(14-21-19-3-1-2-4-20(19)22-15-25-16-27(21)22)18-5-9-26(10-6-18)24(29)13-17-7-11-30-12-8-17/h1-4,15-18,21,23,28H,5-14H2/t21-,23+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370570
PNG
(4-((R)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCOCC1
Show InChI InChI=1/C23H30N4O3/c28-22(13-20-18-3-1-2-4-19(18)21-14-24-15-27(20)21)16-5-9-26(10-6-16)23(29)25-17-7-11-30-12-8-17/h1-4,14-17,20,22,28H,5-13H2,(H,25,29)/t20-,22+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370440
PNG
(1-(2-aminophenyl)-2-(5H-imidazo[5,1- a]isoindol-5-...)
Show SMILES Nc1ccccc1C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H17N3O/c19-15-8-4-3-7-14(15)18(22)9-16-12-5-1-2-6-13(12)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9,19H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370443
PNG
(1-(2-chlorophenyl)-2-(5H-imidazo[5,1- a]isoindol-5...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccccc1Cl
Show InChI InChI=1/C18H15ClN2O/c19-15-8-4-3-7-14(15)18(22)9-16-12-5-1-2-6-13(12)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370452
PNG
(2-(7-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...)
Show SMILES OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21ClN2O/c19-13-6-7-14-15(8-13)16(21-11-20-10-17(14)21)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370504
PNG
(1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1cncnc1
Show InChI InChI=1/C23H25N5O2/c29-22(10-20-18-3-1-2-4-19(18)21-13-26-15-28(20)21)17-5-7-27(8-6-17)23(30)9-16-11-24-14-25-12-16/h1-4,11-15,17,20,22,29H,5-10H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370510
PNG
(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(O)CC1
Show InChI InChI=1/C18H22N2O2/c21-13-7-5-12(6-8-13)18(22)9-16-14-3-1-2-4-15(14)17-10-19-11-20(16)17/h1-4,10-13,16,18,21-22H,5-9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370521
PNG
(1-(4-(2-hydroxyethylidene)cyclohexyl)-2-(5H- imida...)
Show SMILES OCC=C1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C20H24N2O2/c23-10-9-14-5-7-15(8-6-14)20(24)11-18-16-3-1-2-4-17(16)19-12-21-13-22(18)19/h1-4,9,12-13,15,18,20,23-24H,5-8,10-11H2/b14-9-
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370526
PNG
(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C24H26N4O2/c29-23(14-21-19-8-4-5-9-20(19)22-15-25-16-28(21)22)17-10-12-27(13-11-17)24(30)26-18-6-2-1-3-7-18/h1-9,15-17,21,23,29H,10-14H2,(H,26,30)
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370532
PNG
(1-(3-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CN(C1)C(=O)Cc1ccccc1
Show InChI InChI=1/C23H23N3O2/c27-22(17-13-25(14-17)23(28)10-16-6-2-1-3-7-16)11-20-18-8-4-5-9-19(18)21-12-24-15-26(20)21/h1-9,12,15,17,20,22,27H,10-11,13-14H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370533
PNG
(3-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CN(C1)C(=O)Nc1ccccc1
Show InChI InChI=1/C22H22N4O2/c27-21(15-12-25(13-15)22(28)24-16-6-2-1-3-7-16)10-19-17-8-4-5-9-18(17)20-11-23-14-26(19)20/h1-9,11,14-15,19,21,27H,10,12-13H2,(H,24,28)
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370540
PNG
(1-((1s,4s)-4-(benzyloxy)cyclohexyl)-2-(6-fluoro- 5...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)[C@@H]1CC[C@@H](CC1)OCc1ccccc1
Show InChI InChI=1/C25H27FN2O2/c26-21-8-4-7-20-23-14-27-16-28(23)22(25(20)21)13-24(29)18-9-11-19(12-10-18)30-15-17-5-2-1-3-6-17/h1-8,14,16,18-19,22,24,29H,9-13,15H2/t18-,19+,22?,24?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370524
PNG
(1-(4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(15-22-20-8-4-5-9-21(20)23-16-26-17-28(22)23)19-10-12-27(13-11-19)25(30)14-18-6-2-1-3-7-18/h1-9,16-17,19,22,24,29H,10-15H2/t22-,24-/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370553
PNG
((1S,4r)-4-((S)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17-/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370555
PNG
((1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]i...)
Show SMILES O[C@H](C[C@H]1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11-,12-,15-,17+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370562
PNG
(4-((R)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1/C24H32N4O3/c29-18-7-5-17(6-8-18)26-24(31)27-11-9-16(10-12-27)23(30)13-21-19-3-1-2-4-20(19)22-14-25-15-28(21)22/h1-4,14-18,21,23,29-30H,5-13H2,(H,26,31)/t17-,18-,21-,23+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370563
PNG
(4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCOCC1
Show InChI InChI=1/C23H30N4O3/c28-22(13-20-18-3-1-2-4-19(18)21-14-24-15-27(20)21)16-5-9-26(10-6-16)23(29)25-17-7-11-30-12-8-17/h1-4,14-17,20,22,28H,5-13H2,(H,25,29)/t20-,22-/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370566
PNG
(1-((1r,4r)-4-(benzyloxy)cyclohexyl)-2-(6-fluoro- 5...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)[C@H]1CC[C@@H](CC1)OCc1ccccc1
Show InChI InChI=1/C25H27FN2O2/c26-21-8-4-7-20-23-14-27-16-28(23)22(25(20)21)13-24(29)18-9-11-19(12-10-18)30-15-17-5-2-1-3-6-17/h1-8,14,16,18-19,22,24,29H,9-13,15H2/t18-,19-,22?,24?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370572
PNG
(N-((1r,4r)-4-(1-hydroxy-2-(5H-imidazo[5,1- a]isoin...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)[C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(14-22-20-8-4-5-9-21(20)23-15-26-16-28(22)23)17-10-12-19(13-11-17)27-25(30)18-6-2-1-3-7-18/h1-9,15-17,19,22,24,29H,10-14H2,(H,27,30)/t17-,19-,22?,24?
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370444
PNG
(1-(3-chlorophenyl)-2-(5H-imidazo[5,1- a]isoindol-5...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1cccc(Cl)c1
Show InChI InChI=1/C18H15ClN2O/c19-13-5-3-4-12(8-13)18(22)9-16-14-6-1-2-7-15(14)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370482
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (4-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(CC1)=CI
Show InChI InChI=1/C19H20FIN2O/c20-15-3-1-2-14-17-10-22-11-23(17)16(19(14)15)8-18(24)13-6-4-12(9-21)5-7-13/h1-3,9-11,13,16,18,24H,4-8H2/b12-9-
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370485
PNG
(1-cyclohexyl-3-(6-fluoro-5H-imidazo[5,1- a]isoindo...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)CC1CCCCC1
Show InChI InChI=1/C19H23FN2O/c20-16-8-4-7-15-18-11-21-12-22(18)17(19(15)16)10-14(23)9-13-5-2-1-3-6-13/h4,7-8,11-14,17,23H,1-3,5-6,9-10H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370486
PNG
(1-cyclohexyl-3-(5H-imidazo[5,1-a]isoindol-5- yl)pr...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)CC1CCCCC1
Show InChI InChI=1/C19H24N2O/c22-15(10-14-6-2-1-3-7-14)11-18-16-8-4-5-9-17(16)19-12-20-13-21(18)19/h4-5,8-9,12-15,18,22H,1-3,6-7,10-11H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370487
PNG
(1-(4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol- 5-yl...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(15-22-20-8-4-5-9-21(20)23-16-26-17-28(22)23)19-10-12-27(13-11-19)25(30)14-18-6-2-1-3-7-18/h1-9,16-17,19,22,24,29H,10-15H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370507
PNG
(US10233190, Example 1426 | methyl 4-(1-hydroxy-2-(...)
Show SMILES COC(=O)C1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C20H24N2O3/c1-25-20(24)14-8-6-13(7-9-14)19(23)10-17-15-4-2-3-5-16(15)18-11-21-12-22(17)18/h2-5,11-14,17,19,23H,6-10H2,1H3
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370547
PNG
(1-(4-((R)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(15-22-20-8-4-5-9-21(20)23-16-26-17-28(22)23)19-10-12-27(13-11-19)25(30)14-18-6-2-1-3-7-18/h1-9,16-17,19,22,24,29H,10-15H2/t22-,24+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370574
PNG
(N-cyclopentyl-4-((R)-1-hydroxy-2-((S)-5H- imidazo[...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)NC1CCCC1
Show InChI InChI=1/C23H30N4O2/c28-22(13-20-18-7-3-4-8-19(18)21-14-24-15-27(20)21)16-9-11-26(12-10-16)23(29)25-17-5-1-2-6-17/h3-4,7-8,14-17,20,22,28H,1-2,5-6,9-13H2,(H,25,29)/t20-,22+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370576
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(4- (trifluor...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(CC1)C(F)(F)F
Show InChI InChI=1/C19H21F3N2O/c20-19(21,22)13-7-5-12(6-8-13)18(25)9-16-14-3-1-2-4-15(14)17-10-23-11-24(16)17/h1-4,10-13,16,18,25H,5-9H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370578
PNG
(4-((R)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoindol...)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C25H25F3N4O2/c26-25(27,28)17-5-7-18(8-6-17)30-24(34)31-11-9-16(10-12-31)23(33)13-21-19-3-1-2-4-20(19)22-14-29-15-32(21)22/h1-8,14-16,21,23,33H,9-13H2,(H,30,34)/t21-,23+/s2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138819
PNG
(CHEMBL3753837 | US10233190, Example 1357)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370454
PNG
(1-cyclopentyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)e...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCC1
Show InChI InChI=1/C17H20N2O/c20-17(12-5-1-2-6-12)9-15-13-7-3-4-8-14(13)16-10-18-11-19(15)16/h3-4,7-8,10-12,15,17,20H,1-2,5-6,9H2
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370488
PNG
(1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H- imidazo...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H19F3N2O/c19-13-3-1-2-12-15-9-22-10-23(15)14(17(12)13)8-16(24)11-4-6-18(20,21)7-5-11/h1-3,9-11,14,16,24H,4-8H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370495
PNG
(1-(cyclohex-3-en-1-yl)-2-(6-fluoro-5H- imidazo[5,1...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC=CC1
Show InChI InChI=1/C18H19FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h1-2,4,7-8,10-12,15,17,22H,3,5-6,9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138828
PNG
(CHEMBL3752060 | US10233190, Example 1417)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18-/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50138827
PNG
(CHEMBL3752711 | US10233190, Example 1418)
Show SMILES O[C@H](C[C@H]1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2/t16-,18+/s2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370511
PNG
(1-(4-(hydroxymethyl)cyclohexyl)-2-(5H- imidazo[5,1...)
Show SMILES OCC1CCC(CC1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C19H24N2O2/c22-11-13-5-7-14(8-6-13)19(23)9-17-15-3-1-2-4-16(15)18-10-20-12-21(17)18/h1-4,10,12-14,17,19,22-23H,5-9,11H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370531
PNG
((1R,4s)-4-(2-((S)-6-fluoro-5H-imidazo[5,1- a]isoin...)
Show SMILES OC(C[C@H]1c2c(cccc2F)-c2cncn12)C1CCC(O)CC1
Show InChI InChI=1/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2/t11?,12?,15-,17?/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370539
PNG
(US10233190, Example 1472 | tert-butyl 4-((S)-1-hyd...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](O)C[C@H]1c2ccccc2-c2cncn12
Show InChI InChI=1/C22H29N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18,20,26H,8-12H2,1-3H3/t18-,20-/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370575
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (4-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(CC1)C(F)(F)F
Show InChI InChI=1/C19H20F4N2O/c20-14-3-1-2-13-16-9-24-10-25(16)15(18(13)14)8-17(26)11-4-6-12(7-5-11)19(21,22)23/h1-3,9-12,15,17,26H,4-8H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370468
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (4-...)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=C)CC1
Show InChI InChI=1/C19H21FN2O/c1-12-5-7-13(8-6-12)18(23)9-16-19-14(3-2-4-15(19)20)17-10-21-11-22(16)17/h2-4,10-11,13,16,18,23H,1,5-9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370489
PNG
(1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1- a]is...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H20F2N2O/c19-18(20)7-5-12(6-8-18)17(23)9-15-13-3-1-2-4-14(13)16-10-21-11-22(15)16/h1-4,10-12,15,17,23H,5-9H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370492
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (4-...)
Show SMILES CC(C)=C1CCC(CC1)C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1/C21H25FN2O/c1-13(2)14-6-8-15(9-7-14)20(25)10-18-21-16(4-3-5-17(21)22)19-11-23-12-24(18)19/h3-5,11-12,15,18,20,25H,6-10H2,1-2H3
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370515
PNG
(US10233190, Example 1434 | sodium 1-cyclohexyl-2-(...)
Show SMILES [O-]P([O-])(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H23N2O4P/c21-25(22,23)24-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18H,1-3,6-7,10H2,(H2,21,22,23)/p-2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370524
PNG
(1-(4-((S)-1-hydroxy-2-((S)-5H-imidazo[5,1- a]isoin...)
Show SMILES O[C@@H](C[C@H]1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1/C25H27N3O2/c29-24(15-22-20-8-4-5-9-21(20)23-16-26-17-28(22)23)19-10-12-27(13-11-19)25(30)14-18-6-2-1-3-7-18/h1-9,16-17,19,22,24,29H,10-15H2/t22-,24-/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370429
PNG
(1-(4-aminophenyl)-2-(5H-imidazo[5,1- a]isoindol-5-...)
Show SMILES Nc1ccc(cc1)C(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H15N3O/c19-13-7-5-12(6-8-13)18(22)9-16-14-3-1-2-4-15(14)17-10-20-11-21(16)17/h1-8,10-11,16H,9,19H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370520
PNG
((2S)-1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol- 5-...)
Show SMILES C[C@H](N)C(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C21H27N3O2/c1-14(22)21(25)26-20(15-7-3-2-4-8-15)11-18-16-9-5-6-10-17(16)19-12-23-13-24(18)19/h5-6,9-10,12-15,18,20H,2-4,7-8,11,22H2,1H3/t14-,18?,20?/s2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370561
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1- (phenylca...)
Show SMILES O=C(Nc1ccccc1)OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)Nc1ccccc1
Show InChI InChI=1/C31H31N5O3/c37-30(33-23-9-3-1-4-10-23)35-17-15-22(16-18-35)29(39-31(38)34-24-11-5-2-6-12-24)19-27-25-13-7-8-14-26(25)28-20-32-21-36(27)28/h1-14,20-22,27,29H,15-19H2,(H,33,37)(H,34,38)
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370477
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(thiazol-4- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1cscn1
Show InChI InChI=1/C15H13N3OS/c19-15(12-7-20-9-17-12)5-13-10-3-1-2-4-11(10)14-6-16-8-18(13)14/h1-4,6-9,13,15,19H,5H2
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US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370514
PNG
((2S)-1-(1-cyclohexyl-2-(5H-imidazo[5,1- a]isoindol...)
Show SMILES CC(C)C([NH3+])C(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C23H31N3O2/c1-15(2)22(24)23(27)28-21(16-8-4-3-5-9-16)12-19-17-10-6-7-11-18(17)20-13-25-14-26(19)20/h6-7,10-11,13-16,19,21-22H,3-5,8-9,12,24H2,1-2H3/p+1
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370518
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1- (spiro[2.5]o...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCC2(CC2)CC1
Show InChI InChI=1/C20H24N2O/c23-19(14-5-7-20(8-6-14)9-10-20)11-17-15-3-1-2-4-16(15)18-12-21-13-22(17)18/h1-4,12-14,17,19,23H,5-11H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370535
PNG
(1-(azetidin-3-yl)-2-(5H-imidazo[5,1-a]isoindol- 5-...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CNC1
Show InChI InChI=1/C15H17N3O/c19-15(10-6-16-7-10)5-13-11-3-1-2-4-12(11)14-8-17-9-18(13)14/h1-4,8-10,13,15-16,19H,5-7H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370431
PNG
(1-(4-aminophenyl)-2-(5H-imidazo[5,1- a]isoindol-5-...)
Show SMILES Nc1ccc(cc1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H17N3O/c19-13-7-5-12(6-8-13)18(22)9-16-14-3-1-2-4-15(14)17-10-20-11-21(16)17/h1-8,10-11,16,18,22H,9,19H2
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Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370462
PNG
(5-(2-cyclohexyl-2-hydroxyethyl)-5H- imidazo[5,1-a]...)
Show SMILES OC(CC1c2cccc(O)c2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H22N2O2/c21-16-8-4-7-13-14(20-11-19-10-15(20)18(13)16)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,14,17,21-22H,1-3,5-6,9H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370512
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES O=C(OC(CC1c2ccccc2-c2cncn12)C1CCCCC1)c1ccccc1
Show InChI InChI=1/C25H26N2O2/c28-25(19-11-5-2-6-12-19)29-24(18-9-3-1-4-10-18)15-22-20-13-7-8-14-21(20)23-16-26-17-27(22)23/h2,5-8,11-14,16-18,22,24H,1,3-4,9-10,15H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370423
PNG
((E)-5-(2-bromostyryl)-5H-imidazo[5,1- a]isoindole ...)
Show SMILES Brc1ccccc1\C=C\C1c2ccccc2-c2cncn12
Show InChI InChI=1/C18H13BrN2/c19-16-8-4-1-5-13(16)9-10-17-14-6-2-3-7-15(14)18-11-20-12-21(17)18/h1-12,17H/b10-9+
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370481
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (1-...)
Show SMILES Cn1ccnc1C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1/C16H15FN4O/c1-20-6-5-19-16(20)14(22)7-12-15-10(3-2-4-11(15)17)13-8-18-9-21(12)13/h2-6,8-9,12,14,22H,7H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370523
PNG
((2S)-5-(1-cyclohexyl-2-(5H-imidazo[5,1- a]isoindol...)
Show SMILES COC(=O)[C@@H](N)CCC(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C24H31N3O4/c1-30-24(29)19(25)11-12-23(28)31-22(16-7-3-2-4-8-16)13-20-17-9-5-6-10-18(17)21-14-26-15-27(20)21/h5-6,9-10,14-16,19-20,22H,2-4,7-8,11-13,25H2,1H3/t19-,20?,22?/s2
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370484
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)acetonitrile; | ...)
Show SMILES N#CCC1c2ccccc2-c2cncn12
Show InChI InChI=1/C12H9N3/c13-6-5-11-9-3-1-2-4-10(9)12-7-14-8-15(11)12/h1-4,7-8,11H,5H2
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370490
PNG
(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1- (1-...)
Show SMILES Cn1cncc1C(O)CC1c2c(cccc2F)-c2cncn12
Show InChI InChI=1/C16H15FN4O/c1-20-8-18-7-14(20)15(22)5-12-16-10(3-2-4-11(16)17)13-6-19-9-21(12)13/h2-4,6-9,12,15,22H,5H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370501
PNG
(1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5- yl)et...)
Show SMILES CC(=O)OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C20H24N2O2/c1-14(23)24-20(15-7-3-2-4-8-15)11-18-16-9-5-6-10-17(16)19-12-21-13-22(18)19/h5-6,9-10,12-13,15,18,20H,2-4,7-8,11H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370461
PNG
(1-cyclohexyl-2-(9-methoxy-5H-imidazo[5,1- a]isoind...)
Show SMILES COc1cccc2C(CC(O)C3CCCCC3)n3cncc3-c12
Show InChI InChI=1/C19H24N2O2/c1-23-18-9-5-8-14-15(21-12-20-11-16(21)19(14)18)10-17(22)13-6-3-2-4-7-13/h5,8-9,11-13,15,17,22H,2-4,6-7,10H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370529
PNG
((4-(1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5- yl)e...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCN(CC1)C(=O)[C@@H]1CCCN1
Show InChI InChI=1/C22H28N4O2/c27-21(15-7-10-25(11-8-15)22(28)18-6-3-9-24-18)12-19-16-4-1-2-5-17(16)20-13-23-14-26(19)20/h1-2,4-5,13-15,18-19,21,24,27H,3,6-12H2/t18-,19?,21?/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370422
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-N- methylacetam...)
Show SMILES CNC(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C13H13N3O/c1-14-13(17)6-11-9-4-2-3-5-10(9)12-7-15-8-16(11)12/h2-5,7-8,11H,6H2,1H3,(H,14,17)
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NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370476
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1-methyl- 1H...)
Show SMILES Cn1cnc(c1)C(O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C16H16N4O/c1-19-8-13(18-10-19)16(21)6-14-11-4-2-3-5-12(11)15-7-17-9-20(14)15/h2-5,7-10,14,16,21H,6H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370459
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(piperidin- 4...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCNCC1
Show InChI InChI=1/C17H21N3O/c21-17(12-5-7-18-8-6-12)9-15-13-3-1-2-4-14(13)16-10-19-11-20(15)16/h1-4,10-12,15,17-18,21H,5-9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase


(Homo sapiens (Human))
BDBM370421
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)acetic acid | US...)
Show SMILES OC(=O)CC1c2ccccc2-c2cncn12
Show InChI InChI=1/C12H10N2O2/c15-12(16)5-10-8-3-1-2-4-9(8)11-6-13-7-14(10)11/h1-4,6-7,10H,5H2,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NEWLINK GENETICS CORPORATION

US Patent


Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US10233190 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%