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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM50203256'   
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))
BDBM50203256
PNG
(CHEMBL3936225)
Show SMILES COc1ccc(cc1O)C1c2c(C)n[nH]c2Oc2[nH]nc(N)c12
Show InChI InChI=1S/C15H15N5O3/c1-6-10-11(7-3-4-9(22-2)8(21)5-7)12-13(16)18-20-15(12)23-14(10)19-17-6/h3-5,11,21H,1-2H3,(H,17,19)(H3,16,18,20)
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Article
PubMed
122n/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))
BDBM50203256
PNG
(CHEMBL3936225)
Show SMILES COc1ccc(cc1O)C1c2c(C)n[nH]c2Oc2[nH]nc(N)c12
Show InChI InChI=1S/C15H15N5O3/c1-6-10-11(7-3-4-9(22-2)8(21)5-7)12-13(16)18-20-15(12)23-14(10)19-17-6/h3-5,11,21H,1-2H3,(H,17,19)(H3,16,18,20)
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Article
PubMed
n/an/a 78n/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))
BDBM50203256
PNG
(CHEMBL3936225)
Show SMILES COc1ccc(cc1O)C1c2c(C)n[nH]c2Oc2[nH]nc(N)c12
Show InChI InChI=1S/C15H15N5O3/c1-6-10-11(7-3-4-9(22-2)8(21)5-7)12-13(16)18-20-15(12)23-14(10)19-17-6/h3-5,11,21H,1-2H3,(H,17,19)(H3,16,18,20)
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Article
PubMed
n/an/a 397n/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))
BDBM50203256
PNG
(CHEMBL3936225)
Show SMILES COc1ccc(cc1O)C1c2c(C)n[nH]c2Oc2[nH]nc(N)c12
Show InChI InChI=1S/C15H15N5O3/c1-6-10-11(7-3-4-9(22-2)8(21)5-7)12-13(16)18-20-15(12)23-14(10)19-17-6/h3-5,11,21H,1-2H3,(H,17,19)(H3,16,18,20)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 113n/an/an/an/a



Indian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of IDO1 in IFNgamma-induced human MDA-MB-231 cells using tryptophan as substrate preincubated for 4 hrs followed by substrate addition for...


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