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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 = 'BDBM50046142'   
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))
BDBM50046142
PNG
(CHEMBL3310858)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-14(16)13(15)8-11/h2-8,18-19H,1H3,(H,17,20)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 110n/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))
BDBM50046142
PNG
(CHEMBL3310858)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-14(16)13(15)8-11/h2-8,18-19H,1H3,(H,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.59E+3n/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