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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 = 'BDBM50203286'   
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))
BDBM50203286
PNG
(CHEMBL3891251)
Show SMILES Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN4O3/c1-6-9-10(7-2-4-8(16)5-3-7)11-12(21)17-15(22)18-13(11)23-14(9)20-19-6/h2-5,10H,1H3,(H,19,20)(H2,17,18,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...


ACS Med Chem Lett 7: 1167-1172 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00359
BindingDB Entry DOI: 10.7270/Q2TF009K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50203286
PNG
(CHEMBL3891251)
Show SMILES Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN4O3/c1-6-9-10(7-2-4-8(16)5-3-7)11-12(21)17-15(22)18-13(11)23-14(9)20-19-6/h2-5,10H,1H3,(H,19,20)(H2,17,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 969n/an/an/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of N-terminus 6xHis-tagged human IDO1 expressed in Escherichia coli M15 using L-tryptophan as substrate preincubated for 1 hr measured aft...


ACS Med Chem Lett 7: 1167-1172 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00359
BindingDB Entry DOI: 10.7270/Q2TF009K
More data for this
Ligand-Target Pair