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PubMed code 25970480

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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))		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


(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))		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 72n/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 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))		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))		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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n/an/a<200n/an/an/an/an/an/a



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))		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
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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))		BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1 | U...)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after ...

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))		BDBM317215
PNG
(US9617272, Compound 70 | US9981973, Compound 70)
Show SMILES OC(CC1c2cncn2-c2ccccc12)C1CCCCC1
Show InChI InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-15-14-8-4-5-9-16(14)20-12-19-11-17(15)20/h4-5,8-9,11-13,15,18,21H,1-3,6-7,10H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after ...

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))		BDBM50500138
PNG
(CHEMBL3745878)
Show SMILES CCc1ccccc1Nc1cnn[nH]1
Show InChI InChI=1S/C10H12N4/c1-2-8-5-3-4-6-9(8)12-10-7-11-14-13-10/h3-7H,2H2,1H3,(H2,11,12,13,14)
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n/an/a<1.00E+3n/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 spectrophotometric 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))		BDBM50500141
PNG
(CHEMBL3746997)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
Show InChI InChI=1S/C25H23N3O2/c29-25(16-20-6-2-1-3-7-20)28-21-12-10-19(11-13-21)14-15-30-24-9-5-4-8-22(24)23-17-26-18-27-23/h1-13,17-18H,14-16H2,(H,26,27)(H,28,29)
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n/an/a<1.00E+3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after ...

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))		BDBM50030791
PNG
(CHEMBL3342402)
Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(=O)Nc3ccc4OCOc4c3)n12
Show InChI InChI=1S/C20H16N4O3S2/c1-12-2-4-13(5-3-12)15-9-28-19-22-23-20(24(15)19)29-10-18(25)21-14-6-7-16-17(8-14)27-11-26-16/h2-9H,10-11H2,1H3,(H,21,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged human recombinant IDO1 expressed in Escherichia coli BL21 using tryptophan as substrate after 90 mins by fluores...

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))		BDBM50500140
PNG
(CHEMBL3103854)
Show SMILES COc1cccc2C(=O)C3=C([C@@H](C)O[C@@H](Cn4cc(nn4)-c4ccccc4)C3)C(=O)c12 |r,t:9|
Show InChI InChI=1S/C24H21N3O4/c1-14-21-18(23(28)17-9-6-10-20(30-2)22(17)24(21)29)11-16(31-14)12-27-13-19(25-26-27)15-7-4-3-5-8-15/h3-10,13-14,16H,11-12H2,1-2H3/t14-,16-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of 6His-tagged human recombinant IDO1 expressed in Escherichia coli EC 539 using L-tryptophan as substrate after 1 hr by plate reader anal...

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))		BDBM50500139
PNG
(CHEMBL3745728)
Show SMILES [H][C@@]12CC[C@@]3(C=O)C(O)CC(C=O)=CC[C@]3([H])[C@@]1(C)CCCC2(C)C |r,c:12|
Show InChI InChI=1S/C20H30O3/c1-18(2)8-4-9-19(3)15(18)7-10-20(13-22)16(19)6-5-14(12-21)11-17(20)23/h5,12-13,15-17,23H,4,6-11H2,1-3H3/t15-,16+,17?,19-,20-/m0/s1
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n/an/a 7.70E+3n/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 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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))		BDBM50138821
PNG
(CHEMBL3747548 | US9617272, Compound 66 | US9981973...)
Show SMILES OC(CC1c2ccccc2-c2cnnn12)C1CCCCC1
Show InChI InChI=1S/C17H21N3O/c21-17(12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)16-11-18-19-20(15)16/h4-5,8-9,11-12,15,17,21H,1-3,6-7,10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after ...

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))		BDBM50146579
PNG
(Benzyl-O-Hydroxylamine | CHEMBL443652 | O-Benzylhy...)
Show SMILES NOCc1ccccc1
Show InChI InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/a<1.00E+4n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by spectrophoto...

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))		BDBM50500134
PNG
(CHEMBL3747238)
Show SMILES COc1cc(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(O)=O
Show InChI InChI=1S/C30H32O10/c1-12-10-19(31)17(6)25(32)22(12)29(35)40-26-16(5)15(4)24(27(38-9)18(26)7)30(36)39-20-11-21(37-8)23(28(33)34)14(3)13(20)2/h10-11,31-32H,1-9H3,(H,33,34)
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n/an/a 1.50E+4n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO (unknown origin)

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))		BDBM50500135
PNG
(CHEMBL3745836)
Show SMILES CN1C([C@H](O)c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccccc2C1=O |r|
Show InChI InChI=1S/C24H19N3O3/c1-26-20(21(28)15-9-3-2-4-10-15)22-25-18-13-7-5-11-16(18)24(30)27(22)19-14-8-6-12-17(19)23(26)29/h2-14,20-21,28H,1H3/t20?,21-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



SIB Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO (unknown origin)

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
* indicates data uncertainty>20%