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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50126142'   
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))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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Article
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n/an/a 2.00E+4n/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
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 2.00E+4n/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
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 2.70E+4n/an/an/an/an/an/a



NewLink Genetics Corporation

Curated by ChEMBL


Assay Description
Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins b...


J Med Chem 62: 6705-6733 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00662
BindingDB Entry DOI: 10.7270/Q21G0QNZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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US Patent
n/an/a 3.90E+4n/an/an/an/an/an/a


TBA

Assay Description
Firstly, the compound was subject to a 3-fold gradient dilution. 1 μL of each concentration was added to a 96-well plate; 50 μL of the IDO ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q289191R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 4.80E+4n/an/an/an/an/an/a



School of Pharmacy, Fudan University, Shanghai 201203, China.

Curated by ChEMBL


Assay Description
Inhibition of human IDO expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of kynurenine production using L-tryptophan as substrate...


Bioorg Med Chem 25: 3780-3791 (2017)


Article DOI: 10.1016/j.bmc.2017.05.017
BindingDB Entry DOI: 10.7270/Q2QJ7KQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin)


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
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 4.80E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113967
BindingDB Entry DOI: 10.7270/Q26W9G4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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n/an/a 1.40E+5n/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
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
PDB
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n/an/a 1.40E+5n/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
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126142
PNG
(4-Phenylimidazole | CHEMBL14145 | US11053207, Comp...)
Show SMILES c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
PDB
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n/an/a 1.43E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IDO1


Citation and Details

BindingDB Entry DOI: 10.7270/Q21G0QZ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)