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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 = 'BDBM50507270'   
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))
BDBM50507270
PNG
(CHEMBL4571508)
Show SMILES Cl.NOC(c1ccccc1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO.ClH/c15-12-7-6-10(14(16,17)18)8-11(12)13(20-19)9-4-2-1-3-5-9;/h1-8,13H,19H2;1H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate after 20 hrs


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50507270
PNG
(CHEMBL4571508)
Show SMILES Cl.NOC(c1ccccc1)c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO.ClH/c15-12-7-6-10(14(16,17)18)8-11(12)13(20-19)9-4-2-1-3-5-9;/h1-8,13H,19H2;1H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan as substrate by spectrophotometric method


Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair