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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 = 'BDBM50051818'   
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


(Mus musculus)
BDBM50051818
PNG
(CHEMBL3318333)
Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+
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PubMed
n/an/a 340n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 expressed in mouse P815B cells using L-tryptophan substrate incubated for 18 hrs by HPLC based cellular assay


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50051818
PNG
(CHEMBL3318333)
Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+
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n/an/a 3.10E+4n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 5 mM GSH by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50051818
PNG
(CHEMBL3318333)
Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+
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PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50051818
PNG
(CHEMBL3318333)
Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+
PDB
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Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair