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SMILES: [O-][N+](=O)c1ccc(Sc2ccc(F)cc2)c2nonc12

InChI Key: InChIKey=ZJIWLIYXWOPEDX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50235881   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50235881
PNG
(CHEMBL2430539)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(F)cc2)c2nonc12
Show InChI InChI=1S/C12H6FN3O3S/c13-7-1-3-8(4-2-7)20-10-6-5-9(16(17)18)11-12(10)15-19-14-11/h1-6H
PDB
MMDB

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Similars

Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Compound was tested in a cell-free SLe-polyacrylamide glycoconjugate binding assay (assay B) in Selectin E


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50235881
PNG
(CHEMBL2430539)
Show SMILES [O-][N+](=O)c1ccc(Sc2ccc(F)cc2)c2nonc12
Show InChI InChI=1S/C12H6FN3O3S/c13-7-1-3-8(4-2-7)20-10-6-5-9(16(17)18)11-12(10)15-19-14-11/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs


Eur J Med Chem 126: 983-996 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.029
BindingDB Entry DOI: 10.7270/Q2RX9F9K
More data for this
Ligand-Target Pair