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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 = 'BDBM50203275'   
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))
BDBM50203275
PNG
(CHEMBL3971417)
Show SMILES Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H10F2N4O3/c1-5-9-10(6-2-3-7(16)8(17)4-6)11-12(22)18-15(23)19-13(11)24-14(9)21-20-5/h2-4,10H,1H3,(H,20,21)(H2,18,19,22,23)
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Article
PubMed
297n/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))
BDBM50203275
PNG
(CHEMBL3971417)
Show SMILES Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H10F2N4O3/c1-5-9-10(6-2-3-7(16)8(17)4-6)11-12(22)18-15(23)19-13(11)24-14(9)21-20-5/h2-4,10H,1H3,(H,20,21)(H2,18,19,22,23)
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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))
BDBM50203275
PNG
(CHEMBL3971417)
Show SMILES Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H10F2N4O3/c1-5-9-10(6-2-3-7(16)8(17)4-6)11-12(22)18-15(23)19-13(11)24-14(9)21-20-5/h2-4,10H,1H3,(H,20,21)(H2,18,19,22,23)
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Article
PubMed
n/an/a 410n/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))
BDBM50203275
PNG
(CHEMBL3971417)
Show SMILES Cc1n[nH]c2Oc3[nH]c(=O)[nH]c(=O)c3C(c12)c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H10F2N4O3/c1-5-9-10(6-2-3-7(16)8(17)4-6)11-12(22)18-15(23)19-13(11)24-14(9)21-20-5/h2-4,10H,1H3,(H,20,21)(H2,18,19,22,23)
PDB
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Reactome pathway
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Article
PubMed
n/an/an/an/a 76n/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