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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM24678'   
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))
BDBM24678
PNG
(4-fluoro-2-(1H-pyrazol-3-yl)phenol | pyrazole, 31)
Show SMILES Oc1ccc(F)cc1-c1cc[nH]n1
Show InChI InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
PDB
MMDB

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Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of 2,3 dioxygenase


Eur J Med Chem 45: 4004-12 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.057
BindingDB Entry DOI: 10.7270/Q2HX1CW5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24678
PNG
(4-fluoro-2-(1H-pyrazol-3-yl)phenol | pyrazole, 31)
Show SMILES Oc1ccc(F)cc1-c1cc[nH]n1
Show InChI InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/a6.537



Bryn Mawr College



Assay Description
The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...


J Med Chem 51: 4968-77 (2008)


Article DOI: 10.1021/jm800512z
BindingDB Entry DOI: 10.7270/Q2154FB1
More data for this
Ligand-Target Pair