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Patent code US9617272

Compile Data Set for Download or QSAR
Found 20 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
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM317216
PNG
(US9617272, Compound 27)
Show SMILES O=C(CC1c2cncn2-c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15H,1-3,6-7,10H2
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n/an/a<100n/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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

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


(Homo sapiens)
BDBM317215
PNG
(US9617272, Compound 70)
Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2
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n/an/a<100n/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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317215
PNG
(US9617272, Compound 70)
Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2
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n/an/a<100n/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 US9617272 (2017)

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


(Homo sapiens)
BDBM317217
PNG
(US9617272, Compound 101)
Show SMILES C1c2cn[nH]c2-c2ccccc12
Show InChI InChI=1S/C10H8N2/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-4,6H,5H2,(H,11,12)
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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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

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


(Homo sapiens)
BDBM317222
PNG
(US9617272, Compound 68)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCC(F)(F)CC1
Show InChI InChI=1S/C17H19F2N3O/c18-17(19)7-5-11(6-8-17)16(23)9-14-12-3-1-2-4-13(12)15-10-20-21-22(14)15/h1-4,10-11,14,16,23H,5-9H2
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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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317216
PNG
(US9617272, Compound 27)
Show SMILES O=C(CC1c2cncn2-c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C18H20N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15H,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 US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317221
PNG
(US9617272, Compound 67)
Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)C(O)CC2c3ccccc3-c3cnnn23)cc1
Show InChI InChI=1S/C24H27N5O2/c1-16-6-8-18(9-7-16)26-24(31)28-12-10-17(11-13-28)23(30)14-21-19-4-2-3-5-20(19)22-15-25-27-29(21)22/h2-9,15,17,21,23,30H,10-14H2,1H3,(H,26,31)
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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 US9617272 (2017)

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


(Homo sapiens)
BDBM317221
PNG
(US9617272, Compound 67)
Show SMILES Cc1ccc(NC(=O)N2CCC(CC2)C(O)CC2c3ccccc3-c3cnnn23)cc1
Show InChI InChI=1S/C24H27N5O2/c1-16-6-8-18(9-7-16)26-24(31)28-12-10-17(11-13-28)23(30)14-21-19-4-2-3-5-20(19)22-15-25-27-29(21)22/h2-9,15,17,21,23,30H,10-14H2,1H3,(H,26,31)
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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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317219
PNG
(US9617272, Compound 53)
Show SMILES O=C(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15H,1-3,6-7,10H2
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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 US9617272 (2017)

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


(Homo sapiens)
BDBM317219
PNG
(US9617272, Compound 53)
Show SMILES O=C(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15H,1-3,6-7,10H2
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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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317222
PNG
(US9617272, Compound 68)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCC(F)(F)CC1
Show InChI InChI=1S/C17H19F2N3O/c18-17(19)7-5-11(6-8-17)16(23)9-14-12-3-1-2-4-13(12)15-10-20-21-22(14)15/h1-4,10-11,14,16,23H,5-9H2
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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 US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM50138821
PNG
(CHEMBL3747548 | US9617272, Compound 66)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15,17,21H,1-3,6-7,10H2
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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 US9617272 (2017)

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


(Homo sapiens)
BDBM50138821
PNG
(CHEMBL3747548 | US9617272, Compound 66)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15,17,21H,1-3,6-7,10H2
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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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

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


(Homo sapiens)
BDBM317220
PNG
(US9617272, Compound 54)
Show SMILES FC1(F)CCC(CC1)C(=O)CC1c2ccccc2-c2cnnn12
Show InChI InChI=1S/C17H17F2N3O/c18-17(19)7-5-11(6-8-17)16(23)9-14-12-3-1-2-4-13(12)15-10-20-21-22(14)15/h1-4,10-11,14H,5-9H2
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n/an/a>1.00E+4n/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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

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


(Homo sapiens)
BDBM317224
PNG
(US9617272, Compound 43)
Show SMILES O=C(CC1c2ccccc2-c2nncn12)C1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-16(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17-19-18-11-20(15)17/h4-5,8-9,11-12,15H,1-3,6-7,10H2
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n/an/a>1.00E+4n/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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317223
PNG
(US9617272, Compound 69)
Show SMILES OC(CC1c2ccccc2-c2nncn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-16(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17-19-18-11-20(15)17/h4-5,8-9,11-12,15-16,21H,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 US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317217
PNG
(US9617272, Compound 101)
Show SMILES C1c2cn[nH]c2-c2ccccc12
Show InChI InChI=1S/C10H8N2/c1-2-4-9-7(3-1)5-8-6-11-12-10(8)9/h1-4,6H,5H2,(H,11,12)
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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 US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317220
PNG
(US9617272, Compound 54)
Show SMILES FC1(F)CCC(CC1)C(=O)CC1c2ccccc2-c2cnnn12
Show InChI InChI=1S/C17H17F2N3O/c18-17(19)7-5-11(6-8-17)16(23)9-14-12-3-1-2-4-13(12)15-10-20-21-22(14)15/h1-4,10-11,14H,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 US9617272 (2017)

More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (human))
BDBM317224
PNG
(US9617272, Compound 43)
Show SMILES O=C(CC1c2ccccc2-c2nncn12)C1CCCCC1
Show InChI InChI=1S/C17H19N3O/c21-16(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17-19-18-11-20(15)17/h4-5,8-9,11-12,15H,1-3,6-7,10H2
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n/an/a>1.00E+4n/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 US9617272 (2017)

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


(Homo sapiens)
BDBM317223
PNG
(US9617272, Compound 69)
Show SMILES OC(CC1c2ccccc2-c2nncn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-16(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17-19-18-11-20(15)17/h4-5,8-9,11-12,15-16,21H,1-3,6-7,10H2
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n/an/a>1.00E+4n/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 TDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


US Patent US9617272 (2017)

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