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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50034039   
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))
BDBM50355862
PNG
(CHEMBL1909734)
Show SMILES Clc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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PubMed
1.45E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate by Dixon...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355861
PNG
(CHEMBL1909733)
Show SMILES Brc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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1.80E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate by Dixon...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17448
PNG
(1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...)
Show SMILES c1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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2.25E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate by Dixon...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM21973
PNG
(1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...)
Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
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3.40E+4n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Competitive inhibition of indoleamine-2,3-dioxygenase


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355862
PNG
(CHEMBL1909734)
Show SMILES Clc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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PubMed
n/an/a 1.93E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase in human HEK293 cells assessed as N-formylkynurenine level after 5 hrs by spectrophotometric analysis


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355861
PNG
(CHEMBL1909733)
Show SMILES Brc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase in human HEK293 cells assessed as N-formylkynurenine level after 5 hrs by spectrophotometric analysis


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355862
PNG
(CHEMBL1909734)
Show SMILES Clc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 8.60E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17448
PNG
(1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...)
Show SMILES c1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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n/an/a 1.43E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355861
PNG
(CHEMBL1909733)
Show SMILES Brc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 1.48E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17448
PNG
(1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...)
Show SMILES c1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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n/an/a 2.51E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of indoleamine-2,3-dioxygenase in human HEK293 cells assessed as N-formylkynurenine level after 5 hrs by spectrophotometric analysis


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM21973
PNG
(1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...)
Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
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n/an/a 3.28E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355865
PNG
(CHEMBL1909741)
Show SMILES [O-][N+](=O)c1[nH]nnc1-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C8H5N5O4/c14-12(15)6-3-1-5(2-4-6)7-8(13(16)17)10-11-9-7/h1-4H,(H,9,10,11)
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n/an/a 5.33E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355867
PNG
(CHEMBL1909735)
Show SMILES Fc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6FN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 5.80E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17471
PNG
(1,2,3-triazole analogue, 27 | 3-(1H-1,2,3-triazol-...)
Show SMILES c1[nH]nnc1-c1cccnc1
Show InChI InChI=1S/C7H6N4/c1-2-6(4-8-3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
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n/an/a 7.08E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17459
PNG
(1,2,3-triazole analogue, 15 | 5-(4-chlorophenyl)-1...)
Show SMILES Clc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 8.17E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17453
PNG
(1,2,3-triazole analogue, 9 | 5-(2-methoxyphenyl)-1...)
Show SMILES COc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3O/c1-13-9-5-3-2-4-7(9)8-6-10-12-11-8/h2-6H,1H3,(H,10,11,12)
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n/an/a 1.03E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355864
PNG
(CHEMBL1909740)
Show SMILES Cc1ccc(cc1)-c1nn[nH]c1Br
Show InChI InChI=1S/C9H8BrN3/c1-6-2-4-7(5-3-6)8-9(10)12-13-11-8/h2-5H,1H3,(H,11,12,13)
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n/an/a 1.03E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM17460
PNG
(1,2,3-triazole analogue, 16 | 5-(4-bromophenyl)-1H...)
Show SMILES Brc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 1.26E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355863
PNG
(CHEMBL1909739)
Show SMILES Ic1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H6IN3/c9-8-7(10-12-11-8)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)
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n/an/a 1.37E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355866
PNG
(CHEMBL1909742)
Show SMILES CCOC(=O)c1cn(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C11H10ClN3O2/c1-2-17-11(16)10-7-15(14-13-10)9-5-3-8(12)4-6-9/h3-7H,2H2,1H3
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n/an/a 2.00E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM36293
PNG
(1,2,3-benzotriazole | Benzotriazole (Bta))
Show SMILES c1ccc2nnnc2c1
Show InChI InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
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n/an/a 2.57E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50355860
PNG
(CHEMBL1909732)
Show SMILES COc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3O/c1-13-8-4-2-7(3-5-8)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
PDB
MMDB

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PubMed
n/an/a 6.00E+6n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant indoleamine-2,3-dioxygenase expressed in Escherichia coli BL21 using L-tryptophan as substrate after 30 mins by micro...


Eur J Med Chem 46: 5680-7 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.044
BindingDB Entry DOI: 10.7270/Q2KH0NRS
More data for this
Ligand-Target Pair