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PubMed code 19507862

Compile data set for download or QSAR
Found 42 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 1


(Homo sapiens (Human))		BDBM50300312
PNG
(4-amino-1,2,5-oxadiazole-3-carboximidamide | CHEMB...)
Show SMILES Nc1nonc1C(NO)=NCc1ccccc1 |w:9.10|
Show InChI InChI=1S/C10H11N5O2/c11-9-8(14-17-15-9)10(13-16)12-6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,11,15)(H,12,13)
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 1.10E+3n/an/an/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300306
PNG
(4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 |w:9.10|
Show InChI InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 12n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300299
PNG
(4-Amino-N-(3-bromophenyl)-N'-hydroxy-1,2,5-oxadiaz...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(Br)c1 |w:9.10|
Show InChI InChI=1S/C9H8BrN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 17n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300296
PNG
(4-Amino-N-(3-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H8ClN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 19n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)		BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 46n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in mouse B16 cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300301
PNG
(4-Amino-N-(3-ethylphenyl)-N'-hydroxy-1,2,5-oxadiaz...)
Show SMILES CCc1cccc(c1)N=C(NO)c1nonc1N |w:8.8|
Show InChI InChI=1S/C11H13N5O2/c1-2-7-4-3-5-8(6-7)13-11(14-17)9-10(12)16-18-15-9/h3-6,17H,2H2,1H3,(H2,12,16)(H,13,14)
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n/an/a 54n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300306
PNG
(4-Amino-N-(3-bromo-4-fluorophenyl)-N'-hydroxy-1,2,...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Br)c1 |w:9.10|
Show InChI InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 59n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 67n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300299
PNG
(4-Amino-N-(3-bromophenyl)-N'-hydroxy-1,2,5-oxadiaz...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(Br)c1 |w:9.10|
Show InChI InChI=1S/C9H8BrN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 73n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300296
PNG
(4-Amino-N-(3-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H8ClN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 86n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300300
PNG
(4-Amino-N'-hydroxy-N-(3-methylphenyl)-1,2,5-oxadia...)
Show SMILES Cc1cccc(c1)N=C(NO)c1nonc1N |w:7.7|
Show InChI InChI=1S/C10H11N5O2/c1-6-3-2-4-7(5-6)12-10(13-16)8-9(11)15-17-14-8/h2-5,16H,1H3,(H2,11,15)(H,12,13)
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300302
PNG
(4-Amino-N'-hydroxy-N-(3-isopropylphenyl)-1,2,5-oxa...)
Show SMILES CC(C)c1cccc(c1)N=C(NO)c1nonc1N |w:9.9|
Show InChI InChI=1S/C12H15N5O2/c1-7(2)8-4-3-5-9(6-8)14-12(15-18)10-11(13)17-19-16-10/h3-7,18H,1-2H3,(H2,13,17)(H,14,15)
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n/an/a 225n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300298
PNG
(4-Amino-N-(3-fluorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(F)c1 |w:9.10|
Show InChI InChI=1S/C9H8FN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 270n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300301
PNG
(4-Amino-N-(3-ethylphenyl)-N'-hydroxy-1,2,5-oxadiaz...)
Show SMILES CCc1cccc(c1)N=C(NO)c1nonc1N |w:8.8|
Show InChI InChI=1S/C11H13N5O2/c1-2-7-4-3-5-8(6-7)13-11(14-17)9-10(12)16-18-15-9/h3-6,17H,2H2,1H3,(H2,12,16)(H,13,14)
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n/an/a 430n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300294
PNG
(4-Amino-N'-hydroxy-N-phenyl-1,2,5-oxadiazole-3-car...)
Show SMILES Nc1nonc1C(NO)=Nc1ccccc1 |w:9.10|
Show InChI InChI=1S/C9H9N5O2/c10-8-7(13-16-14-8)9(12-15)11-6-4-2-1-3-5-6/h1-5,15H,(H2,10,14)(H,11,12)
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n/an/a 490n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300298
PNG
(4-Amino-N-(3-fluorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1cccc(F)c1 |w:9.10|
Show InChI InChI=1S/C9H8FN5O2/c10-5-2-1-3-6(4-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 500n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300300
PNG
(4-Amino-N'-hydroxy-N-(3-methylphenyl)-1,2,5-oxadia...)
Show SMILES Cc1cccc(c1)N=C(NO)c1nonc1N |w:7.7|
Show InChI InChI=1S/C10H11N5O2/c1-6-3-2-4-7(5-6)12-10(13-16)8-9(11)15-17-14-8/h2-5,16H,1H3,(H2,11,15)(H,12,13)
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n/an/a 550n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300304
PNG
(4-Amino-N'-hydroxy-N-(3-methoxyphenyl)-1,2,5-oxadi...)
Show SMILES COc1cccc(c1)N=C(NO)c1nonc1N |w:8.8|
Show InChI InChI=1S/C10H11N5O3/c1-17-7-4-2-3-6(5-7)12-10(13-16)8-9(11)15-18-14-8/h2-5,16H,1H3,(H2,11,15)(H,12,13)
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n/an/a 970n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300312
PNG
(4-amino-1,2,5-oxadiazole-3-carboximidamide | CHEMB...)
Show SMILES Nc1nonc1C(NO)=NCc1ccccc1 |w:9.10|
Show InChI InChI=1S/C10H11N5O2/c11-9-8(14-17-15-9)10(13-16)12-6-7-4-2-1-3-5-7/h1-5,16H,6H2,(H2,11,15)(H,12,13)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)		BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in mouse B16 cells assessed as kynurenine formation by adjusted cell-based spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300309
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES NNC(=Nc1cccc(Cl)c1)c1nonc1N |w:3.3|
Show InChI InChI=1S/C9H9ClN6O/c10-5-2-1-3-6(4-5)13-9(14-12)7-8(11)16-17-15-7/h1-4H,12H2,(H2,11,16)(H,13,14)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300295
PNG
(4-Amino-N-(2-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C9H8ClN5O2/c10-5-3-1-2-4-6(5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300311
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES Nc1nonc1C(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H7ClN4OS/c10-5-2-1-3-6(4-5)12-9(16)7-8(11)14-15-13-7/h1-4H,(H2,11,14)(H,12,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300309
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES NNC(=Nc1cccc(Cl)c1)c1nonc1N |w:3.3|
Show InChI InChI=1S/C9H9ClN6O/c10-5-2-1-3-6(4-5)13-9(14-12)7-8(11)16-17-15-7/h1-4H,12H2,(H2,11,16)(H,13,14)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300310
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES Nc1nonc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H7ClN4O2/c10-5-2-1-3-6(4-5)12-9(15)7-8(11)14-16-13-7/h1-4H,(H2,11,14)(H,12,15)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300307
PNG
(4-Aamino-N-(3-chlorophenyl)-N'-methoxy-1,2,5-oxadi...)
Show SMILES CON=C(Nc1cccc(Cl)c1)c1nonc1N |w:2.1|
Show InChI InChI=1S/C10H10ClN5O2/c1-17-16-10(8-9(12)15-18-14-8)13-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,15)(H,13,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300308
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES NC(=Nc1cccc(Cl)c1)c1nonc1N |w:2.2|
Show InChI InChI=1S/C9H8ClN5O/c10-5-2-1-3-6(4-5)13-8(11)7-9(12)15-16-14-7/h1-4H,(H2,11,13)(H2,12,15)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300302
PNG
(4-Amino-N'-hydroxy-N-(3-isopropylphenyl)-1,2,5-oxa...)
Show SMILES CC(C)c1cccc(c1)N=C(NO)c1nonc1N |w:9.9|
Show InChI InChI=1S/C12H15N5O2/c1-7(2)8-4-3-5-9(6-8)14-12(15-18)10-11(13)17-19-16-10/h3-7,18H,1-2H3,(H2,13,17)(H,14,15)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300297
PNG
(4-Amino-N-(4-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(Cl)cc1 |w:9.10|
Show InChI InChI=1S/C9H8ClN5O2/c10-5-1-3-6(4-2-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300294
PNG
(4-Amino-N'-hydroxy-N-phenyl-1,2,5-oxadiazole-3-car...)
Show SMILES Nc1nonc1C(NO)=Nc1ccccc1 |w:9.10|
Show InChI InChI=1S/C9H9N5O2/c10-8-7(13-16-14-8)9(12-15)11-6-4-2-1-3-5-6/h1-5,15H,(H2,10,14)(H,11,12)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300304
PNG
(4-Amino-N'-hydroxy-N-(3-methoxyphenyl)-1,2,5-oxadi...)
Show SMILES COc1cccc(c1)N=C(NO)c1nonc1N |w:8.8|
Show InChI InChI=1S/C10H11N5O3/c1-17-7-4-2-3-6(5-7)12-10(13-16)8-9(11)15-18-14-8/h2-5,16H,1H3,(H2,11,15)(H,12,13)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300297
PNG
(4-Amino-N-(4-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(Cl)cc1 |w:9.10|
Show InChI InChI=1S/C9H8ClN5O2/c10-5-1-3-6(4-2-5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300295
PNG
(4-Amino-N-(2-chlorophenyl)-N'-hydroxy-1,2,5-oxadia...)
Show SMILES Nc1nonc1C(NO)=Nc1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C9H8ClN5O2/c10-5-3-1-2-4-6(5)12-9(13-16)7-8(11)15-17-14-7/h1-4,16H,(H2,11,15)(H,12,13)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300303
PNG
(4-Amino-N-(3-tert-butylphenyl)-N'-hydroxy-1,2,5-ox...)
Show SMILES CC(C)(C)c1cccc(c1)N=C(NO)c1nonc1N |w:10.10|
Show InChI InChI=1S/C13H17N5O2/c1-13(2,3)8-5-4-6-9(7-8)15-12(16-19)10-11(14)18-20-17-10/h4-7,19H,1-3H3,(H2,14,18)(H,15,16)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cells assessed as kynurenine formation by spectrophotometry

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))		BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of tryptophan 2,3-dioxygenase

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))		BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of tryptophan 2,3-dioxygenase by cell-based assay

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300311
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES Nc1nonc1C(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H7ClN4OS/c10-5-2-1-3-6(4-5)12-9(16)7-8(11)14-15-13-7/h1-4H,(H2,11,14)(H,12,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300308
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES NC(=Nc1cccc(Cl)c1)c1nonc1N |w:2.2|
Show InChI InChI=1S/C9H8ClN5O/c10-5-2-1-3-6(4-5)13-8(11)7-9(12)15-16-14-7/h1-4H,(H2,11,13)(H2,12,15)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300307
PNG
(4-Aamino-N-(3-chlorophenyl)-N'-methoxy-1,2,5-oxadi...)
Show SMILES CON=C(Nc1cccc(Cl)c1)c1nonc1N |w:2.1|
Show InChI InChI=1S/C10H10ClN5O2/c1-17-16-10(8-9(12)15-18-14-8)13-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,15)(H,13,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300310
PNG
(4-Amino-N-(3-chlorophenyl)-1,2,5-oxadiazole-3-carb...)
Show SMILES Nc1nonc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C9H7ClN4O2/c10-5-2-1-3-6(4-5)12-9(15)7-8(11)14-16-13-7/h1-4H,(H2,11,14)(H,12,15)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50300303
PNG
(4-Amino-N-(3-tert-butylphenyl)-N'-hydroxy-1,2,5-ox...)
Show SMILES CC(C)(C)c1cccc(c1)N=C(NO)c1nonc1N |w:10.10|
Show InChI InChI=1S/C13H17N5O2/c1-13(2,3)8-5-4-6-9(7-8)15-12(16-19)10-11(14)18-20-17-10/h4-7,19H,1-3H3,(H2,14,18)(H,15,16)
PDB
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n/an/a 2.50E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed in Escherichia coli assessed as N'-formylkynurenine formation by spec...

J Med Chem 52: 7364-7 (2009)


Article DOI: 10.1021/jm900518f
BindingDB Entry DOI: 10.7270/Q29P32KW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%