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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 = 'BDBM24796'   
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))
BDBM24796
PNG
((11S,13S)-14,14-dimethyl-12,15-dioxatetracyclo[8.5...)
Show SMILES CC1(C)OC2=C([C@@H]3O[C@H]13)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C15H12O4/c1-15(2)14-13(18-14)9-10(16)7-5-3-4-6-8(7)11(17)12(9)19-15/h3-6,13-14H,1-2H3/t13-,14-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.95E+3n/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))
BDBM24796
PNG
((11S,13S)-14,14-dimethyl-12,15-dioxatetracyclo[8.5...)
Show SMILES CC1(C)OC2=C([C@@H]3O[C@H]13)C(=O)c1ccccc1C2=O |r,c:4|
Show InChI InChI=1S/C15H12O4/c1-15(2)14-13(18-14)9-10(16)7-5-3-4-6-8(7)11(17)12(9)19-15/h3-6,13-14H,1-2H3/t13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.95E+3n/an/an/an/an/an/a



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: 1706-18 (2008)


Article DOI: 10.1021/jm7014155
BindingDB Entry DOI: 10.7270/Q2VD6WSV
More data for this
Ligand-Target Pair