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Compile Data Set for Download or QSAR

Found 374 hits with Last Name = 'michielin' and Initial = 'o'   
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))
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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94n/an/an/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 10 mins by...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM81348
PNG
(β-Lapachone (A3) | Beta lapachone | R115 (Rea...)
Show SMILES CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O |c:5|
Show InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
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100n/an/an/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant IDO1 expressed in Escherichia coli by Michaelis-Menton nonlinear regression plot analysis in presence ...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50183456
PNG
(CHEMBL425403 | N-methyl-N'-9-phenanthrylimidodicar...)
Show SMILES CN=C(N)NC(N)=Nc1cc2ccccc2c2ccccc12 |w:7.7,1.0|
Show InChI InChI=1S/C17H17N5/c1-20-16(18)22-17(19)21-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3,(H5,18,19,20,21,22)
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1.50E+3n/an/an/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 expressed in yeast IS20-2B using tryptophan as substrate by methylene blue/ascorbate assay


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50279937
PNG
(CHEMBL1985550)
Show SMILES NC1=CC(=N)c2ccc(=O)[nH]c2C1=O |t:1|
Show InChI InChI=1S/C9H7N3O2/c10-5-3-6(11)9(14)8-4(5)1-2-7(13)12-8/h1-3,10H,11H2,(H,12,13)
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4.30E+3n/an/an/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO1 using L-tryptophan as substrate after 15 mins by Dixon plot analysis


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM36371
PNG
(5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidaz...)
Show SMILES CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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1.20E+4n/an/an/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Competitive inhibition of 6His-tagged human recombinant IDO expressed in Escherichia coli BL21DE3pLys


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12 |r|
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)/t10-/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of IDO by cell-free assay


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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1.60E+5n/an/an/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant IDO1 expressed in Escherichia coli BL21 by Lineweaver-Burk double-reciprocal plot analysis


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM168435
PNG
(US9675571, 129)
Show SMILES CC(C)CN(C1CCCCC1)c1ccc(cc1NC(=O)Nc1cc(C)no1)[C@H]1C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C25H34N4O4/c1-15(2)14-29(18-7-5-4-6-8-18)22-10-9-17(19-13-20(19)24(30)31)12-21(22)26-25(32)27-23-11-16(3)28-33-23/h9-12,15,18-20H,4-8,13-14H2,1-3H3,(H,30,31)(H2,26,27,32)/t19-,20-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 in HEK293 cells after 20 hrs by plate reader assay


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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n/an/a 2n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM340834
PNG
(US9765018, Example 287)
Show SMILES CCCC(CCC)Oc1c(Br)cc(cc1NC(=O)Nc1ccccc1F)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C27H28BrFN6O2/c1-3-9-18(10-4-2)37-25-21(28)15-17(19-11-5-6-12-20(19)26-32-34-35-33-26)16-24(25)31-27(36)30-23-14-8-7-13-22(23)29/h5-8,11-16,18H,3-4,9-10H2,1-2H3,(H2,30,31,36)(H,32,33,34,35)
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n/an/a 3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 in HEK293 cells after 20 hrs by plate reader assay


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM317549
PNG
(3-(3-(3-(2,4- difluorophenyl)ureido)-4- (diisobuty...)
Show SMILES CC(C)CN(CC(C)C)c1ccc(cc1NC(=O)Nc1ccc(F)cc1F)C(CC(O)=O)C(F)(F)F
Show InChI InChI=1S/C25H30F5N3O3/c1-14(2)12-33(13-15(3)4)22-8-5-16(18(11-23(34)35)25(28,29)30)9-21(22)32-24(36)31-20-7-6-17(26)10-19(20)27/h5-10,14-15,18H,11-13H2,1-4H3,(H,34,35)(H2,31,32,36)
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n/an/a 3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 in HEK293 cells after 20 hrs by plate reader assay


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50500137
PNG
(CHEMBL3747340)
Show SMILES Cc1ccc(CC(=O)Nc2cc(ccc2N2CC3CC2CN3Cc2ccccc2)-c2ccccc2-c2nnn[nH]2)cc1 |THB:22:21:15.16:18,14:15:21.20:18|
Show InChI InChI=1S/C34H33N7O/c1-23-11-13-24(14-12-23)17-33(42)35-31-18-26(29-9-5-6-10-30(29)34-36-38-39-37-34)15-16-32(31)41-22-27-19-28(41)21-40(27)20-25-7-3-2-4-8-25/h2-16,18,27-28H,17,19-22H2,1H3,(H,35,42)(H,36,37,38,39)
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n/an/a 5n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 in HEK293 cells after 20 hrs by plate reader assay


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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n/an/a 7.10n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma-stimulated IDO1 activity in human HeLa cells using L-tryptophan as substrate after 48 hrs by microplate reader analysis


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50575464
PNG
(CHEMBL4847829)
Show SMILES Nc1ccc(Br)cc1-c1nc[nH]n1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391358
PNG
(CHEMBL2147989)
Show SMILES Clc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 20n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391359
PNG
(CHEMBL2147998)
Show SMILES Oc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H7N3O/c12-8-4-2-1-3-6(8)7-5-9-11-10-7/h1-5,12H,(H,9,10,11)
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n/an/a 22n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM17467
PNG
(1,2,3-triazole analogue, 23 | 5-(3-bromophenyl)-1H...)
Show SMILES Brc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 23n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391365
PNG
(CHEMBL2147990)
Show SMILES N#Cc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C9H6N4/c10-5-7-2-1-3-8(4-7)9-6-11-13-12-9/h1-4,6H,(H,11,12,13)
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n/an/a 29n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391372
PNG
(CHEMBL2147992)
Show SMILES CCc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C10H11N3/c1-2-8-4-3-5-9(6-8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13)
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n/an/a 30n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50575458
PNG
(CHEMBL4871312)
Show SMILES Nc1ccc(Cl)cc1-c1nnc[nH]1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 7 hr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
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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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50575458
PNG
(CHEMBL4871312)
Show SMILES Nc1ccc(Cl)cc1-c1nnc[nH]1
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TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391360
PNG
(CHEMBL2147995)
Show SMILES Brc1cc(ccn1)-c1c[nH]nn1
Show InChI InChI=1S/C7H5BrN4/c8-7-3-5(1-2-9-7)6-4-10-12-11-6/h1-4H,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391374
PNG
(CHEMBL2146496)
Show SMILES Clc1cc(ccn1)-c1c[nH]nn1
Show InChI InChI=1S/C7H5ClN4/c8-7-3-5(1-2-9-7)6-4-10-12-11-6/h1-4H,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391366
PNG
(CHEMBL2147991)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C9H6F3N3/c10-9(11,12)7-3-1-2-6(4-7)8-5-13-15-14-8/h1-5H,(H,13,14,15)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at pH 7.4 after 60 mins by HPLC an...


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using D-tryptophan as substrate by methylene blue/ascorbate ...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 transfected in mouse P815B clone-6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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SIB Swiss Institute for Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 transfected in HEK293T cells assessed as kynurenine formation using L-Trp as substrate after 7 hrs


Bioorg Med Chem Lett 26: 4330-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.031
BindingDB Entry DOI: 10.7270/Q2J38X2Q
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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SIB Swiss Institute for Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO1 transfected in HEK293T cells assessed as kynurenine formation using L-Trp as substrate after 7 hrs


Bioorg Med Chem Lett 26: 4330-3 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.031
BindingDB Entry DOI: 10.7270/Q2J38X2Q
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1 |w:9.10|
Show InChI InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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TBA

Assay Description
Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 7 hr...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391375
PNG
(CHEMBL2147993)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6N4O2/c13-12(14)7-3-1-2-6(4-7)8-5-9-11-10-8/h1-5H,(H,9,10,11)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM17462
PNG
(1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...)
Show SMILES Cc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391361
PNG
(CHEMBL2147996)
Show SMILES Fc1cc(ccn1)-c1c[nH]nn1
Show InChI InChI=1S/C7H5FN4/c8-7-3-5(1-2-9-7)6-4-10-12-11-6/h1-4H,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391369
PNG
(CHEMBL2148075)
Show SMILES Cc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C9H8ClN3/c1-6-2-3-7(10)4-8(6)9-5-11-13-12-9/h2-5H,1H3,(H,11,12,13)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391373
PNG
(CHEMBL2148076)
Show SMILES Clc1ccc(Cl)c(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H5Cl2N3/c9-5-1-2-7(10)6(3-5)8-4-11-13-12-8/h1-4H,(H,11,12,13)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
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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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50303906
PNG
((E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-on...)
Show SMILES CC(C)N=C1C=C(C)C(=O)c2ccccc12 |w:3.2,t:5|
Show InChI InChI=1S/C14H15NO/c1-9(2)15-13-8-10(3)14(16)12-7-5-4-6-11(12)13/h4-9H,1-3H3
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI


J Med Chem 53: 1172-89 (2010)


Article DOI: 10.1021/jm9014718
BindingDB Entry DOI: 10.7270/Q2BC40G9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50500142
PNG
(CHEMBL3747530)
Show SMILES Oc1ccc(Cl)cc1C(Nc1ccc(F)c(Cl)c1)C#N
Show InChI InChI=1S/C14H9Cl2FN2O/c15-8-1-4-14(20)10(5-8)13(7-18)19-9-2-3-12(17)11(16)6-9/h1-6,13,19-20H
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SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal hexa-Histidine tagged human IDO1 expressed in Escherichia coli using L-tryptophan as substrate after 30 mins by HPLC analysi...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM387561
PNG
(N3-(3- Chloro-4- fluorophenyl)- 7-(2- morpholino- ...)
Show SMILES Nc1oc2c(nccc2c1Nc1ccc(F)c(Cl)c1)-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C22H19ClFN5O2/c23-16-12-14(1-2-17(16)24)28-20-15-4-6-27-19(21(15)31-22(20)25)13-3-5-26-18(11-13)29-7-9-30-10-8-29/h1-6,11-12,28H,7-10,25H2
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n/an/a<200n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using tryptophan as substrate by UV-visible absorption spect...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50575463
PNG
(CHEMBL4848789)
Show SMILES Nc1ccc(Cl)cc1-c1nnn[nH]1
PDB
MMDB

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n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50500136
PNG
(CHEMBL3746040)
Show SMILES COC1=CC(=O)c2oc(C)c(CO)c2C1=O |t:2|
Show InChI InChI=1S/C11H10O5/c1-5-6(4-12)9-10(14)8(15-2)3-7(13)11(9)16-5/h3,12H,4H2,1-2H3
PDB
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n/an/a 240n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human recombinant IDO1 expressed in Escherichia coli using L-tryptophan as substrate preincubated for 10 mins fol...


J Med Chem 58: 9421-37 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00326
BindingDB Entry DOI: 10.7270/Q28K7D3X
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50516641
PNG
(CHEMBL4455007)
Show SMILES Oc1ccc(Cl)cc1-c1cnc[nH]1
Show InChI InChI=1S/C9H7ClN2O/c10-6-1-2-9(13)7(3-6)8-4-11-5-12-8/h1-5,13H,(H,11,12)
PDB
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n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in kynurenine production using L-tryptop...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01968
BindingDB Entry DOI: 10.7270/Q2G164NR
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
PDB
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n/an/a 330n/an/an/an/a6.5n/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His-tagged IDO1 (Ala2 to Gly403) overexpressed in Escherichia coli BL21 at pH 6.5 after 60 mins by HPLC an...


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391368
PNG
(CHEMBL2147997)
Show SMILES FC(F)(F)c1cc(ccn1)-c1c[nH]nn1
Show InChI InChI=1S/C8H5F3N4/c9-8(10,11)7-3-5(1-2-12-7)6-4-13-15-14-6/h1-4H,(H,13,14,15)
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n/an/a 340n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50051818
PNG
(CHEMBL3318333)
Show SMILES Cc1ccc(cc1)-n1nnnc1C\C=N\Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN6/c1-12-2-8-15(9-3-12)23-16(20-21-22-23)10-11-18-19-14-6-4-13(17)5-7-14/h2-9,11,19H,10H2,1H3/b18-11+
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Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 expressed in mouse P815B cells using L-tryptophan substrate incubated for 18 hrs by HPLC based cellular assay


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
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