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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50325572'   
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))
BDBM50325572
PNG
(4-Chloro-benzenethiol | 4-Chlorobenzenethiol | CHE...)
Show SMILES Sc1ccc(Cl)cc1
Show InChI InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase


Bioorg Med Chem Lett 20: 5126-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.025
BindingDB Entry DOI: 10.7270/Q2862HFZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50325572
PNG
(4-Chloro-benzenethiol | 4-Chlorobenzenethiol | CHE...)
Show SMILES Sc1ccc(Cl)cc1
Show InChI InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
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PubMed
n/an/a 7.90E+3n/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))
BDBM50325572
PNG
(4-Chloro-benzenethiol | 4-Chlorobenzenethiol | CHE...)
Show SMILES Sc1ccc(Cl)cc1
Show InChI InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
PDB
MMDB

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PC cid
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UniChem

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Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


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))
BDBM50325572
PNG
(4-Chloro-benzenethiol | 4-Chlorobenzenethiol | CHE...)
Show SMILES Sc1ccc(Cl)cc1
Show InChI InChI=1S/C6H5ClS/c7-5-1-3-6(8)4-2-5/h1-4,8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase in human A431 cells assessed as inhibition of IFN-gamma-stimulated kynurenine production


Bioorg Med Chem Lett 20: 5126-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.025
BindingDB Entry DOI: 10.7270/Q2862HFZ
More data for this
Ligand-Target Pair