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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'yeh' and Initial = 'sr'   
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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n/an/a 70n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM309529
PNG
(3-(5-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
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n/an/a 210n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50444455
PNG
(CHEBI:27924 | 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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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
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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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507291
PNG
(CHEMBL4582341)
Show SMILES Cl.NOC(c1ccccc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H11F2NO.ClH/c14-11-6-10(7-12(15)8-11)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
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n/an/a 357n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507271
PNG
(CHEMBL4517541)
Show SMILES Cl.NOC(c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C13H12BrNO.ClH/c14-12-8-4-7-11(9-12)13(16-15)10-5-2-1-3-6-10;/h1-9,13H,15H2;1H
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n/an/a 590n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507288
PNG
(CHEMBL4473408)
Show SMILES Cl.NOC(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H11Cl2NO.ClH/c14-11-6-10(7-12(15)8-11)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
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n/an/a 870n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507292
PNG
(CHEMBL4558294)
Show SMILES Cl.NOC(c1ccccc1)c1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO.ClH/c15-12-10(7-4-8-11(12)14(16,17)18)13(20-19)9-5-2-1-3-6-9;/h1-8,13H,19H2;1H
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n/an/a 933n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507287
PNG
(CHEMBL4544607)
Show SMILES Cl.NOC(c1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C13H12FNO.ClH/c14-12-8-4-7-11(9-12)13(16-15)10-5-2-1-3-6-10;/h1-9,13H,15H2;1H
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n/an/a 939n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507271
PNG
(CHEMBL4517541)
Show SMILES Cl.NOC(c1ccccc1)c1cccc(Br)c1
Show InChI InChI=1S/C13H12BrNO.ClH/c14-12-8-4-7-11(9-12)13(16-15)10-5-2-1-3-6-10;/h1-9,13H,15H2;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 IDO1 (unknown origin) using L-tryptophan as substrate by spectrophotometric method


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507269
PNG
(CHEMBL4440040)
Show SMILES Cl.NOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11Cl2NO/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8,13H,16H2
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n/an/a 1.09E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507270
PNG
(CHEMBL4571508)
Show SMILES Cl.NOC(c1ccccc1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO.ClH/c15-12-7-6-10(14(16,17)18)8-11(12)13(20-19)9-4-2-1-3-5-9;/h1-8,13H,19H2;1H
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n/an/a 1.09E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507293
PNG
(CHEMBL4435742)
Show SMILES Cl.COc1ccccc1C(ON)c1ccccc1
Show InChI InChI=1S/C14H15NO2.ClH/c1-16-13-10-6-5-9-12(13)14(17-15)11-7-3-2-4-8-11;/h2-10,14H,15H2,1H3;1H
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n/an/a 1.11E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507289
PNG
(CHEMBL4585829)
Show SMILES Cl.NOC(c1ccccc1)c1ccc(F)cc1F
Show InChI InChI=1S/C13H11F2NO.ClH/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
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n/an/a 1.21E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507278
PNG
(CHEMBL4446245)
Show SMILES Cl.NOC(c1ccccc1)c1ccccc1F
Show InChI InChI=1S/C13H12FNO.ClH/c14-12-9-5-4-8-11(12)13(16-15)10-6-2-1-3-7-10;/h1-9,13H,15H2;1H
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n/an/a 1.26E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507275
PNG
(CHEMBL4590292)
Show SMILES Cl.NOC(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN2O2.ClH/c18-14-7-4-6-13(12-14)16(22-19)10-5-11-17(21)20-15-8-2-1-3-9-15;/h1-4,6-9,12,16H,5,10-11,19H2,(H,20,21);1H
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n/an/a 1.43E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507280
PNG
(CHEMBL4451390)
Show SMILES Cl.NOC(c1ccccc1)c1ccccc1Br
Show InChI InChI=1S/C13H12BrNO.ClH/c14-12-9-5-4-8-11(12)13(16-15)10-6-2-1-3-7-10;/h1-9,13H,15H2;1H
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n/an/a 1.46E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507273
PNG
(CHEMBL4516705)
Show SMILES Cl.NOC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C13H11F2NO/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8,13H,16H2
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n/an/a 1.68E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
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)


Article DOI: 10.1016/j.ejmech.2015.12.028
BindingDB Entry DOI: 10.7270/Q26Q203T
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507276
PNG
(CHEMBL4519297)
Show SMILES Cl.NOC(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO.ClH/c15-14(16,17)12-8-4-7-11(9-12)13(19-18)10-5-2-1-3-6-10;/h1-9,13H,18H2;1H
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n/an/a 1.73E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507284
PNG
(CHEMBL4438707)
Show SMILES Cl.Cc1ccc(C(ON)c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C14H14ClNO2.ClH/c1-9-2-7-12(13(17)8-9)14(18-16)10-3-5-11(15)6-4-10;/h2-8,14,17H,16H2,1H3;1H
PDB
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n/an/a 1.76E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
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