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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50051846'   
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))
BDBM50051846
PNG
(CHEMBL3358454)
Show SMILES NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)/p+1
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PC sid
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Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50051846
PNG
(CHEMBL3358454)
Show SMILES NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)/p+1
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins in presence of 0.01% Triton-X by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50051846
PNG
(CHEMBL3358454)
Show SMILES NC(=[NH2+])SCc1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H9ClN4OS/c11-7-3-1-6(2-4-7)9-14-8(16-15-9)5-17-10(12)13/h1-4H,5H2,(H3,12,13)/p+1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 expressed in mouse P815B cells using L-tryptophan substrate incubated for 18 hrs by HPLC based cellular assay


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair