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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50247141'   
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))
BDBM50247141
PNG
(CHEMBL443424 | TX-2235 | [5-(1,4-Dioxido-1,2,4-ben...)
Show SMILES Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c2ccccc12 |r|
Show InChI InChI=1S/C29H37N7O5/c1-29(2,3)41-28(38)32-22(18-20-19-34(4)23-13-7-6-12-21(20)23)26(37)30-16-10-5-11-17-31-27-33-36(40)25-15-9-8-14-24(25)35(27)39/h6-9,12-15,19,22H,5,10-11,16-18H2,1-4H3,(H,30,37)(H,31,33)(H,32,38)/t22-/m0/s1
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Similars

Article
PubMed
1.97E+5n/an/an/an/an/an/an/an/a



The University of Tokushima

Curated by ChEMBL


Assay Description
Inhibition of indoleamine 2,3-dioxygenase (unknown origin) in aerobic condition


Bioorg Med Chem 16: 8661-9 (2008)


Article DOI: 10.1016/j.bmc.2008.07.087
BindingDB Entry DOI: 10.7270/Q2W66KKP
More data for this
Ligand-Target Pair