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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50047061   
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))
BDBM50146461
PNG
(CHEMBL3765807)
Show SMILES Cl.NOCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
MMDB

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154n/an/an/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by Michaelis-Menton...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146460
PNG
(CHEMBL3763688)
Show SMILES Cl.NOCc1ccc(I)cc1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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164n/an/an/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by Michaelis-Menton...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146461
PNG
(CHEMBL3765807)
Show SMILES Cl.NOCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
MMDB

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n/an/a 77n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of doxycycline-induced human IDO1 expressed in Trex cells assessed as reduction in kynurenine production treated with 5-fold serial diluti...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146460
PNG
(CHEMBL3763688)
Show SMILES Cl.NOCc1ccc(I)cc1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 82n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 5-fold serial dilution beginning...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146460
PNG
(CHEMBL3763688)
Show SMILES Cl.NOCc1ccc(I)cc1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 95n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 3-fold serial dilution beginning...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146461
PNG
(CHEMBL3765807)
Show SMILES Cl.NOCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 114n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 5-fold serial dilution beginning...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146461
PNG
(CHEMBL3765807)
Show SMILES Cl.NOCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 134n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IFN gamma induced human IDO1 in HeLa cells assessed as reduction in kynurenine production treated with 3-fold serial dilution beginning...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146460
PNG
(CHEMBL3763688)
Show SMILES Cl.NOCc1ccc(I)cc1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 180n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of doxycycline-induced human IDO1 expressed in Trex cells assessed as reduction in kynurenine production treated with 5-fold serial diluti...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146460
PNG
(CHEMBL3763688)
Show SMILES Cl.NOCc1ccc(I)cc1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 210n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444455
PNG
(CHEBI:27924 | PHENYLHYDRAZINE | Phenylhydrazine)
Show SMILES NNc1ccccc1
Show InChI InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
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n/an/a 230n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146461
PNG
(CHEMBL3765807)
Show SMILES Cl.NOCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
PDB
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n/an/a 300n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146407
PNG
(CHEMBL3763469)
Show SMILES Cl.NOCc1cccc(Br)c1
Show InChI InChI=1S/C7H8BrNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 320n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146409
PNG
(CHEMBL3764760)
Show SMILES Cl.NOCc1cccc(I)c1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 340n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146522
PNG
(CHEMBL3764803)
Show SMILES Cl.NOCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;/h1-4H,5,12H2;1H
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n/an/a 410n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146450
PNG
(CHEMBL3763307)
Show SMILES Cl.NOCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-3-1-2-5(4-11-10)7(6)9;/h1-3H,4,10H2;1H
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n/an/a 450n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146451
PNG
(CHEMBL3763639)
Show SMILES Cl.NOCc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C8H7ClF3NO.ClH/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12;/h1-3H,4,13H2;1H
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n/an/a 490n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146523
PNG
(CHEMBL3765088)
Show SMILES Cl.NOCc1ccccc1I
Show InChI InChI=1S/C7H8INO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 570n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146452
PNG
(CHEMBL3763481)
Show SMILES Cl.NOCc1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C8H7F4NO.ClH/c9-7-2-1-6(8(10,11)12)3-5(7)4-14-13;/h1-3H,4,13H2;1H
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n/an/a 570n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146525
PNG
(CHEMBL3765142)
Show SMILES Cl.NOCc1ccccc1Cl
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 630n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146521
PNG
(CHEMBL3764703)
Show SMILES Cl.NOCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3H,4,10H2;1H
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n/an/a 630n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146520
PNG
(CHEMBL3763690)
Show SMILES Cl.NOCc1ccc(I)cc1Cl
Show InChI InChI=1S/C7H7ClINO.ClH/c8-7-3-6(9)2-1-5(7)4-11-10;/h1-3H,4,10H2;1H
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n/an/a 730n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146579
PNG
(Benzyl-O-Hydroxylamine | CHEMBL443652 | O-Benzylhy...)
Show SMILES NOCc1ccccc1
Show InChI InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/a 810n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146519
PNG
(CHEMBL3764853)
Show SMILES Cl.NOCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H
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n/an/a 900n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146526
PNG
(CHEMBL3765396)
Show SMILES Cl.NOCc1ccc(F)cc1
Show InChI InChI=1S/C7H8FNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 980n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146408
PNG
(CHEMBL3764504)
Show SMILES Cl.NOCc1cccc(F)c1
Show InChI InChI=1S/C7H8FNO.ClH/c8-7-3-1-2-6(4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146466
PNG
(CHEMBL3765086)
Show SMILES Cl.NOCc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C8H7F4NO.ClH/c9-7-3-6(8(10,11)12)2-1-5(7)4-14-13;/h1-3H,4,13H2;1H
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146529
PNG
(CHEMBL3764023)
Show SMILES Cl.NOCc1ccc(Cl)cc1
Show InChI InChI=1S/C7H8ClNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146541
PNG
(CHEMBL3763371)
Show SMILES Cl.NOCc1ccccc1F
Show InChI InChI=1S/C7H8FNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146465
PNG
(CHEMBL3765186)
Show SMILES Cl.NOCc1ccc(F)cc1F
Show InChI InChI=1S/C7H7F2NO.ClH/c8-6-2-1-5(4-11-10)7(9)3-6;/h1-3H,4,10H2;1H
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146543
PNG
(CHEMBL3764053)
Show SMILES Cl.NOCc1ccccc1Br
Show InChI InChI=1S/C7H8BrNO.ClH/c8-7-4-2-1-3-6(7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146542
PNG
(CHEMBL3765254)
Show SMILES Cl.NOCc1ccc(Br)cc1
Show InChI InChI=1S/C7H8BrNO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146454
PNG
(CHEMBL3765654)
Show SMILES Cl.COc1ccc(OC)c(CON)c1
Show InChI InChI=1S/C9H13NO3.ClH/c1-11-8-3-4-9(12-2)7(5-8)6-13-10;/h3-5H,6,10H2,1-2H3;1H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146455
PNG
(CHEMBL3764039)
Show SMILES Cl.NOCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C7H7Cl2NO.ClH/c8-6-2-1-5(4-11-10)3-7(6)9;/h1-3H,4,10H2;1H
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146457
PNG
(CHEMBL3763730)
Show SMILES Cl.NOCc1ccc(F)cc1C(F)(F)F
Show InChI InChI=1S/C8H7F4NO.ClH/c9-6-2-1-5(4-14-13)7(3-6)8(10,11)12;/h1-3H,4,13H2;1H
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n/an/a 2.40E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146544
PNG
(CHEMBL3764796)
Show SMILES Cl.NOCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-4-2-1-3-6(7)5-13-12;/h1-4H,5,12H2;1H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146446
PNG
(CHEMBL3765123)
Show SMILES Cl.NOCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146546
PNG
(CHEMBL3764152)
Show SMILES Cl.Cc1cccc(CON)c1
Show InChI InChI=1S/C8H11NO.ClH/c1-7-3-2-4-8(5-7)6-10-9;/h2-5H,6,9H2,1H3;1H
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n/an/a 2.70E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146464
PNG
(CHEMBL3763237)
Show SMILES Cl.NOCc1cc(F)cc(F)c1
Show InChI InChI=1S/C7H7F2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H
PDB
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146458
PNG
(CHEMBL3764137)
Show SMILES Cl.NOCc1cc(Br)cc(Br)c1
Show InChI InChI=1S/C7H7Br2NO.ClH/c8-6-1-5(4-11-10)2-7(9)3-6;/h1-3H,4,10H2;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146459
PNG
(CHEMBL3763593)
Show SMILES Cl.NOCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C9H7F6NO.ClH/c10-8(11,12)6-1-5(4-17-16)2-7(3-6)9(13,14)15;/h1-3H,4,16H2;1H
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n/an/a 4.60E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146437
PNG
(CHEMBL3765436)
Show SMILES Cl.NOC(C1CC1)c1ccccc1
Show InChI InChI=1/C10H13NO.ClH/c11-12-10(9-6-7-9)8-4-2-1-3-5-8;/h1-5,9-10H,6-7,11H2;1H
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n/an/a 5.20E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146547
PNG
(CHEMBL3763210)
Show SMILES Cl.COc1ccccc1CON
Show InChI InChI=1S/C8H11NO2.ClH/c1-10-8-5-3-2-4-7(8)6-11-9;/h2-5H,6,9H2,1H3;1H
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n/an/a 5.40E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146580
PNG
(CHEMBL1441489)
Show SMILES ONCc1ccccc1
Show InChI InChI=1S/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146412
PNG
(CHEMBL3764514)
Show SMILES Cl.NOC\C=C\c1ccccc1
Show InChI InChI=1S/C9H11NO.ClH/c10-11-8-4-7-9-5-2-1-3-6-9;/h1-7H,8,10H2;1H/b7-4+;
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n/an/a 7.10E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50146460
PNG
(CHEMBL3763688)
Show SMILES Cl.NOCc1ccc(I)cc1
Show InChI InChI=1S/C7H8INO.ClH/c8-7-3-1-6(2-4-7)5-10-9;/h1-4H,5,9H2;1H
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n/an/a 7.20E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146548
PNG
(CHEMBL3764903)
Show SMILES Cl.NOCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-6(2-4-7)5-13-12;/h1-4H,5,12H2;1H
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n/an/a 8.90E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50082143
PNG
(CHEMBL320474 | N-hydroxylaniline | N-phenylhydroxy...)
Show SMILES ONc1ccccc1
Show InChI InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
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n/an/a 9.20E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146549
PNG
(CHEMBL3764222)
Show SMILES Cl.COc1cccc(CON)c1
Show InChI InChI=1S/C8H11NO2.ClH/c1-10-8-4-2-3-7(5-8)6-11-9;/h2-5H,6,9H2,1H3;1H
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n/an/a 9.50E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146411
PNG
(CHEMBL3765389)
Show SMILES Cl.NOC1CCCc2ccccc12
Show InChI InChI=1/C10H13NO.ClH/c11-12-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50146581
PNG
(CHEMBL3764515)
Show SMILES Cl.NOC1Cc2ccccc2C1
Show InChI InChI=1S/C9H11NO.ClH/c10-11-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as reduction in kynurenine production using L-tryptophan as substrate after 60 mins by microplate reade...


Eur J Med Chem 108: 564-76 (2016)


BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
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