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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 2' AND taxid = 9606   
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 2


(Homo sapiens)
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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970n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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3.50E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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5.60E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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1.32E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Mixed competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence o...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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1.52E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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2.46E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442994
PNG
(CHEMBL312537)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
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3.46E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of ...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
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3.95E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442995
PNG
(CHEMBL3086870)
Show SMILES Fc1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7H
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1.05E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of va...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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3.00E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using ...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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4.25E+5n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of vary...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50207089
PNG
(D-1-Methyltryptophan | D-1MT | INDOXIMOD | Indoxim...)
Show SMILES Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
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3.30E+6n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using ...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 450n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 7.60E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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n/an/a 8.20E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 8.30E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/a 1.73E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
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n/an/a 1.84E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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n/an/a 1.95E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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n/an/a 2.17E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442994
PNG
(CHEMBL312537)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
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n/an/a 2.18E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442994
PNG
(CHEMBL312537)
Show SMILES Cc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C16H10N2O2/c1-9-6-7-13-11(8-9)14(19)15-17-12-5-3-2-4-10(12)16(20)18(13)15/h2-8H,1H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442995
PNG
(CHEMBL3086870)
Show SMILES Fc1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7H
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n/an/a 3.78E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442989
PNG
(CHEMBL3087010)
Show SMILES Clc1cccc-2c1C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7ClN2O2/c16-9-5-3-7-11-12(9)13(19)14-17-10-6-2-1-4-8(10)15(20)18(11)14/h1-7H
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n/an/a 4.34E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442995
PNG
(CHEMBL3086870)
Show SMILES Fc1ccc2nc3C(=O)c4ccccc4-n3c(=O)c2c1
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-11-10(7-8)15(20)18-12-4-2-1-3-9(12)13(19)14(18)17-11/h1-7H
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n/an/a 5.68E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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n/an/a 5.69E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50442990
PNG
(CHEMBL1276265)
Show SMILES Clc1ccc2C(=O)c3nc4ccccc4c(=O)n3-c2c1
Show InChI InChI=1S/C15H7ClN2O2/c16-8-5-6-10-12(7-8)18-14(13(10)19)17-11-4-2-1-3-9(11)15(18)20/h1-7H
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n/an/a 6.79E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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n/an/a 8.25E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50207089
PNG
(D-1-Methyltryptophan | D-1MT | INDOXIMOD | Indoxim...)
Show SMILES Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
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n/an/a 1.49E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50030791
PNG
(CHEMBL3342402)
Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12
Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of human IDO2


J Med Chem 58: 8762-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00461
BindingDB Entry DOI: 10.7270/Q2C82C3F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens)
BDBM50207089
PNG
(D-1-Methyltryptophan | D-1MT | INDOXIMOD | Indoxim...)
Show SMILES Cn1cc(C[C@@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
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n/an/a 2.63E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...


Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair