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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 = 'BDBM50355867'   
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)
BDBM50355867
PNG
(CHEMBL1909735)
Show SMILES Fc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6FN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355867
PNG
(CHEMBL1909735)
Show SMILES Fc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6FN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355867
PNG
(CHEMBL1909735)
Show SMILES Fc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6FN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+5n/an/an/an/a6.5n/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at pH 6.5 after 60 mins by HPLC an...


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355867
PNG
(CHEMBL1909735)
Show SMILES Fc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6FN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair