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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 = 'BDBM50545148'   
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))
BDBM50545148
PNG
(CHEMBL4637369)
Show SMILES NS(=O)(=O)CCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H12BrFN6O5S/c12-7-5-6(1-2-8(7)13)15-10(16-20)9-11(19-24-17-9)18-23-3-4-25(14,21)22/h1-2,5,20H,3-4H2,(H,15,16)(H,18,19)(H2,14,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated for 60 mins by fluorescen...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127038
BindingDB Entry DOI: 10.7270/Q2D79G0Z
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50545148
PNG
(CHEMBL4637369)
Show SMILES NS(=O)(=O)CCONc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H12BrFN6O5S/c12-7-5-6(1-2-8(7)13)15-10(16-20)9-11(19-24-17-9)18-23-3-4-25(14,21)22/h1-2,5,20H,3-4H2,(H,15,16)(H,18,19)(H2,14,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 27n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine formation using L-tryptophan as substrate incubated f...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127038
BindingDB Entry DOI: 10.7270/Q2D79G0Z
More data for this
Ligand-Target Pair