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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 = 'BDBM50046140'   
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))
BDBM50046140
PNG
(CHEMBL3310974)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C12H10Br2N2O2S/c13-9-1-5-11(6-2-9)15-16-19(17,18)12-7-3-10(14)4-8-12/h1-8,15-16H
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 85n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046140
PNG
(CHEMBL3310974)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C12H10Br2N2O2S/c13-9-1-5-11(6-2-9)15-16-19(17,18)12-7-3-10(14)4-8-12/h1-8,15-16H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 374n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of IDO in human HeLa cells after 24 hrs by spectrophotometry


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair