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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 = 'BDBM24805'   
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))
BDBM24805
PNG
((3S,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-2H,3H,4H,...)
Show SMILES CO[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
Show InChI InChI=1S/C16H16O5/c1-16(2)15(19)14(20-3)10-11(17)8-6-4-5-7-9(8)12(18)13(10)21-16/h4-7,14-15,19H,1-3H3/t14-,15-/m0/s1
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Article
PubMed
n/an/a 976n/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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM24805
PNG
((3S,4S)-3-hydroxy-4-methoxy-2,2-dimethyl-2H,3H,4H,...)
Show SMILES CO[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
Show InChI InChI=1S/C16H16O5/c1-16(2)15(19)14(20-3)10-11(17)8-6-4-5-7-9(8)12(18)13(10)21-16/h4-7,14-15,19H,1-3H3/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.96E+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