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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 = 'BDBM50046136'   
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))
BDBM50046136
PNG
(CHEMBL3310298)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C(=O)NCC(O)=O)c1
Show InChI InChI=1S/C16H17N3O5S/c1-11-3-2-4-13(9-11)18-19-25(23,24)14-7-5-12(6-8-14)16(22)17-10-15(20)21/h2-9,18-19H,10H2,1H3,(H,17,22)(H,20,21)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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))
BDBM50046136
PNG
(CHEMBL3310298)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C(=O)NCC(O)=O)c1
Show InChI InChI=1S/C16H17N3O5S/c1-11-3-2-4-13(9-11)18-19-25(23,24)14-7-5-12(6-8-14)16(22)17-10-15(20)21/h2-9,18-19H,10H2,1H3,(H,17,22)(H,20,21)
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 271n/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