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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 = 'BDBM24670'   
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))
BDBM24670
PNG
(4-[3-(methylsulfanyl)phenyl]-1H-imidazole | 4-[3-(...)
Show SMILES CSc1cccc(c1)-c1c[nH]cn1
Show InChI InChI=1S/C10H10N2S/c1-13-9-4-2-3-8(5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 7.30E+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))
BDBM24670
PNG
(4-[3-(methylsulfanyl)phenyl]-1H-imidazole | 4-[3-(...)
Show SMILES CSc1cccc(c1)-c1c[nH]cn1
Show InChI InChI=1S/C10H10N2S/c1-13-9-4-2-3-8(5-9)10-6-11-7-12-10/h2-7H,1H3,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+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