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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 = 'BDBM370569'   
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))
BDBM370569
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(pyridin-2- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17(14-7-3-4-8-19-14)9-15-12-5-1-2-6-13(12)16-10-18-11-20(15)16/h1-8,10-11,15,17,21H,9H2
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
The IC50 values for each compound were determined by testing the activity of IDO in a mixture containing 50 mM potassium phosphate buffer at pH 6.5; ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q26H4KQM
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM370569
PNG
(2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(pyridin-2- y...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17(14-7-3-4-8-19-14)9-15-12-5-1-2-6-13(12)16-10-18-11-20(15)16/h1-8,10-11,15,17,21H,9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



NewLink Genetics Corporation

Curated by ChEMBL


Assay Description
Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins b...


J Med Chem 62: 6705-6733 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00662
BindingDB Entry DOI: 10.7270/Q21G0QNZ
More data for this
Ligand-Target Pair