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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50235921'   
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))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in human SKOV3 cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127744
BindingDB Entry DOI: 10.7270/Q29S1VP1
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 14n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...


ACS Med Chem Lett 11: 179-187 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00572
BindingDB Entry DOI: 10.7270/Q2GX4FWT
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 18n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing human glucocorticoid receptor


Eur J Med Chem 143: 656-669 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.088
BindingDB Entry DOI: 10.7270/Q2GX4F22
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 51n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and pre...


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 53n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 1.5 hrs by HPLC analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.061
BindingDB Entry DOI: 10.7270/Q2R49VGV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 58n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


J Med Chem 62: 8784-8795 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00942
BindingDB Entry DOI: 10.7270/Q22V2KK8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 58n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as decrease in kynurenine levels after 48 hrs


J Med Chem 62: 8784-8795 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00942
BindingDB Entry DOI: 10.7270/Q22V2KK8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 59n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IDO1 in IFN-gamma-induced human MDA-MB-231 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate pretrea...


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.061
BindingDB Entry DOI: 10.7270/Q2R49VGV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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


TBA



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


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 73n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 using L-tryptophan as substrate incubated under dark conditions measured after 60 mins by fluorescence microplat...


J Med Chem 63: 1544-1563 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01386
BindingDB Entry DOI: 10.7270/Q2J969RJ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 91n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 assessed as N-formylkynurenine formation using L-tryptophan as substrate measured after 1 hr by UV-vis spectroph...


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.061
BindingDB Entry DOI: 10.7270/Q2R49VGV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as ...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116160
BindingDB Entry DOI: 10.7270/Q2DF6W0V
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 210n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...


ACS Med Chem Lett 11: 179-187 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00572
BindingDB Entry DOI: 10.7270/Q2GX4FWT
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 (unknown origin) by enzymatic assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127744
BindingDB Entry DOI: 10.7270/Q29S1VP1
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 320n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of full-length human IDO1 expressed in Escherichia coli Rosetta (DE3) using L-Trp substrate by HPLC analysis


J Med Chem 62: 8784-8795 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00942
BindingDB Entry DOI: 10.7270/Q22V2KK8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235921
PNG
(CHEMBL584991)
Show SMILES Nc1nonc1\C(Nc1ccc(F)c(Cl)c1)=N\O
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 320n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of full-length human IDO1 expressed in Escherichia coli Rosetta (DE3) using L-Trp substrate by HPLC analysis


J Med Chem 62: 8784-8795 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00942
BindingDB Entry DOI: 10.7270/Q22V2KK8
More data for this
Ligand-Target Pair