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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 = 'BDBM50509628'   
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))
BDBM50509628
PNG
(CHEMBL4434929)
Show SMILES C[C@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r|
Show InChI InChI=1S/C14H16BrFN6O5S2/c1-7(18-11(23)6-29(17,25)26)5-28-14-12(21-27-22-14)13(20-24)19-8-2-3-10(16)9(15)4-8/h2-4,7,24H,5-6H2,1H3,(H,18,23)(H,19,20)(H2,17,25,26)/t7-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in interferon-gamma-induced human SKOV3 cells assessed as N-formylkynurenine formation using L-tryptophan as substrate measured af...


ACS Med Chem Lett 11: 179-187 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00572
BindingDB Entry DOI: 10.7270/Q2GX4FWT
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50509628
PNG
(CHEMBL4434929)
Show SMILES C[C@H](CSc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)NC(=O)CS(N)(=O)=O |r|
Show InChI InChI=1S/C14H16BrFN6O5S2/c1-7(18-11(23)6-29(17,25)26)5-28-14-12(21-27-22-14)13(20-24)19-8-2-3-10(16)9(15)4-8/h2-4,7,24H,5-6H2,1H3,(H,18,23)(H,19,20)(H2,17,25,26)/t7-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged IDO1 expressed in Escherichia coli Rosetta(DE3) pLysS using L-tryptophan as substrate measured after 1 hr b...


ACS Med Chem Lett 11: 179-187 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00572
BindingDB Entry DOI: 10.7270/Q2GX4FWT
More data for this
Ligand-Target Pair