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Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'liao' and Initial = 'fy'   
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))
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



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO using L-tryptophan as substrate


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50138819
PNG
(CHEMBL3753837)
Show SMILES OC(CC1c2c(cccc2F)-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H21FN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2
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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127174
PNG
(CHEMBL3628599)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C23H21N5O3/c1-26-9-11-27(12-10-26)23(31)16-6-4-5-15(13-16)14-28-20-19(24-25-28)21(29)17-7-2-3-8-18(17)22(20)30/h2-8,13H,9-12,14H2,1H3
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n/an/a 30n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145168
PNG
(CHEMBL3764319)
Show SMILES CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3O3S/c1-11(21)20-9-8-12-10-15(6-7-16(12)20)24(22,23)19-18-14-4-2-13(17)3-5-14/h2-7,10,18-19H,8-9H2,1H3
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n/an/a 35n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145157
PNG
(CHEMBL3763166)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)Cc3c2)cc1
Show InChI InChI=1S/C14H12BrN3O3S/c15-10-1-3-11(4-2-10)17-18-22(20,21)12-5-6-13-9(7-12)8-14(19)16-13/h1-7,17-18H,8H2,(H,16,19)
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n/an/a 36n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50126144
PNG
(CHEMBL3629569 | US10155972, Compound NewLink 1)
Show SMILES OC(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/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 38n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis


J Med Chem 59: 282-93 (2016)


BindingDB Entry DOI: 10.7270/Q28917QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046105
PNG
(CHEMBL3310843)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C14H16N2O4S2/c1-11-4-3-5-12(10-11)15-16-22(19,20)14-8-6-13(7-9-14)21(2,17)18/h3-10,15-16H,1-2H3
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n/an/a 43n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145166
PNG
(CHEMBL3763493)
Show SMILES Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN4O3S/c1-19-13-8-7-12(9-14(13)20(2)15(19)21)24(22,23)18-17-11-5-3-10(16)4-6-11/h3-9,17-18H,1-2H3
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n/an/a 47n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127173
PNG
(CHEMBL3628598)
Show SMILES O=C(N1CCOCC1)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C22H18N4O4/c27-20-16-6-1-2-7-17(16)21(28)19-18(20)23-24-26(19)13-14-4-3-5-15(12-14)22(29)25-8-10-30-11-9-25/h1-7,12H,8-11,13H2
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n/an/a 48n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM80319
PNG
(MLS001171649 | N-[4-(m-toluidinosulfamoyl)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(C)c1
Show InChI InChI=1S/C15H17N3O3S/c1-11-4-3-5-14(10-11)17-18-22(20,21)15-8-6-13(7-9-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)
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n/an/a 49n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046106
PNG
(CHEMBL3310847)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(C)cc1
Show InChI InChI=1S/C15H17N3O3S/c1-11-3-5-14(6-4-11)17-18-22(20,21)15-9-7-13(8-10-15)16-12(2)19/h3-10,17-18H,1-2H3,(H,16,19)
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n/an/a 51n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145159
PNG
(CHEMBL3765205)
Show SMILES FC1(F)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H10BrF2N3O3S/c15-8-1-3-9(4-2-8)19-20-24(22,23)10-5-6-12-11(7-10)14(16,17)13(21)18-12/h1-7,19-20H,(H,18,21)
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n/an/a 52n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145164
PNG
(CHEMBL3765698)
Show SMILES Oc1nc2cc(ccc2[nH]1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN4O3S/c14-8-1-3-9(4-2-8)17-18-22(20,21)10-5-6-11-12(7-10)16-13(19)15-11/h1-7,17-18H,(H2,15,16,19)
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n/an/a 57n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046107
PNG
(CHEMBL3310860)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)c(C)c1
Show InChI InChI=1S/C15H16BrN3O3S/c1-10-9-13(5-8-15(10)16)18-19-23(21,22)14-6-3-12(4-7-14)17-11(2)20/h3-9,18-19H,1-2H3,(H,17,20)
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n/an/a 58n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127164
PNG
(CHEMBL3628597)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C24H21N5O4/c1-15(30)27-9-11-28(12-10-27)24(33)17-6-4-5-16(13-17)14-29-21-20(25-26-29)22(31)18-7-2-3-8-19(18)23(21)32/h2-8,13H,9-12,14H2,1H3
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n/an/a 59n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046108
PNG
(CHEMBL3310844)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C14H13N3O2S/c1-11-3-2-4-13(9-11)16-17-20(18,19)14-7-5-12(10-15)6-8-14/h2-9,16-17H,1H3
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n/an/a 59n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046109
PNG
(CHEMBL3310845)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(Oc3ccc(cn3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C19H16F3N3O3S/c1-13-3-2-4-15(11-13)24-25-29(26,27)17-8-6-16(7-9-17)28-18-10-5-14(12-23-18)19(20,21)22/h2-12,24-25H,1H3
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n/an/a 59n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046110
PNG
(CHEMBL3310981)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN2O4S/c14-10-3-5-11(6-4-10)15-16-21(19,20)12-7-1-9(2-8-12)13(17)18/h1-8,15-16H,(H,17,18)
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n/an/a 61n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145169
PNG
(CHEMBL3763974)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(cc2)N2CCCC2=O)cc1
Show InChI InChI=1S/C16H16BrN3O3S/c17-12-3-5-13(6-4-12)18-19-24(22,23)15-9-7-14(8-10-15)20-11-1-2-16(20)21/h3-10,18-19H,1-2,11H2
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n/an/a 68n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145160
PNG
(CHEMBL3764846)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN3O3S/c1-16(2)13-9-12(7-8-14(13)18-15(16)21)24(22,23)20-19-11-5-3-10(17)4-6-11/h3-9,19-20H,1-2H3,(H,18,21)
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n/an/a 70n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046125
PNG
(CHEMBL3310846)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccccc1
Show InChI InChI=1S/C14H15N3O3S/c1-11(18)15-12-7-9-14(10-8-12)21(19,20)17-16-13-5-3-2-4-6-13/h2-10,16-17H,1H3,(H,15,18)
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n/an/a 71n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145161
PNG
(CHEMBL3765545)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1
Show InChI InChI=1S/C15H14BrN3O3S/c16-11-2-4-12(5-3-11)18-19-23(21,22)13-6-7-14-10(9-13)1-8-15(20)17-14/h2-7,9,18-19H,1,8H2,(H,17,20)
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n/an/a 73n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145158
PNG
(CHEMBL3764144)
Show SMILES CN1C(=O)Cc2cc(ccc12)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C15H14BrN3O3S/c1-19-14-7-6-13(8-10(14)9-15(19)20)23(21,22)18-17-12-4-2-11(16)3-5-12/h2-8,17-18H,9H2,1H3
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n/an/a 76n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145170
PNG
(CHEMBL3765405)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(NC(=O)CCN3CCOCC3)cc2)cc1
Show InChI InChI=1S/C19H23BrN4O4S/c20-15-1-3-17(4-2-15)22-23-29(26,27)18-7-5-16(6-8-18)21-19(25)9-10-24-11-13-28-14-12-24/h1-8,22-23H,9-14H2,(H,21,25)
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n/an/a 77n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046127
PNG
(CHEMBL3310852)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)cc1
Show InChI InChI=1S/C14H14FN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 79n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046136
PNG
(CHEMBL3310298)
Show SMILES Cc1cccc(NNS(=O)(=O)c2ccc(cc2)C(=O)NCC(O)=O)c1
Show InChI InChI=1S/C16H17N3O5S/c1-11-3-2-4-13(9-11)18-19-25(23,24)14-7-5-12(6-8-14)16(22)17-10-15(20)21/h2-9,18-19H,10H2,1H3,(H,17,22)(H,20,21)
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n/an/a 80n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046140
PNG
(CHEMBL3310974)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C12H10Br2N2O2S/c13-9-1-5-11(6-2-9)15-16-19(17,18)12-7-3-10(14)4-8-12/h1-8,15-16H
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n/an/a 85n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145162
PNG
(CHEMBL3764508)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1
Show InChI InChI=1S/C15H12BrN3O3S/c16-11-2-4-12(5-3-11)18-19-23(21,22)13-6-7-14-10(9-13)1-8-15(20)17-14/h1-9,18-19H,(H,17,20)
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n/an/a 85n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127160
PNG
(CHEMBL3628595)
Show SMILES CCN(CC)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C22H20N4O3/c1-3-25(4-2)22(29)15-9-7-8-14(12-15)13-26-19-18(23-24-26)20(27)16-10-5-6-11-17(16)21(19)28/h5-12H,3-4,13H2,1-2H3
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n/an/a 90n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127204
PNG
(CHEMBL3628602)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C23H21N5O3/c1-26-10-12-27(13-11-26)23(31)16-8-6-15(7-9-16)14-28-20-19(24-25-28)21(29)17-4-2-3-5-18(17)22(20)30/h2-9H,10-14H2,1H3
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n/an/a 108n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046142
PNG
(CHEMBL3310858)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-14(16)13(15)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 110n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145163
PNG
(CHEMBL3763962)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc3NC(=O)CCCc3c2)cc1
Show InChI InChI=1S/C16H16BrN3O3S/c17-12-4-6-13(7-5-12)19-20-24(22,23)14-8-9-15-11(10-14)2-1-3-16(21)18-15/h4-10,19-20H,1-3H2,(H,18,21)
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n/an/a 112n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127203
PNG
(CHEMBL3628601)
Show SMILES O=C(N1CCOCC1)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C22H18N4O4/c27-20-16-3-1-2-4-17(16)21(28)19-18(20)23-24-26(19)13-14-5-7-15(8-6-14)22(29)25-9-11-30-12-10-25/h1-8H,9-13H2
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n/an/a 116n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046143
PNG
(CHEMBL3310977)
Show SMILES COC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H17BrN2O4S/c1-23-16(20)11-4-12-2-9-15(10-3-12)24(21,22)19-18-14-7-5-13(17)6-8-14/h2-3,5-10,18-19H,4,11H2,1H3
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n/an/a 121n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046144
PNG
(CHEMBL3310855)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1cccc(F)c1
Show InChI InChI=1S/C14H14FN3O3S/c1-10(19)16-12-5-7-14(8-6-12)22(20,21)18-17-13-4-2-3-11(15)9-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 122n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50145165
PNG
(CHEMBL3765220)
Show SMILES Nc1nc2cc(ccc2[nH]1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H12BrN5O2S/c14-8-1-3-9(4-2-8)18-19-22(20,21)10-5-6-11-12(7-10)17-13(15)16-11/h1-7,18-19H,(H3,15,16,17)
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n/an/a 122n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human Indoleamine 2,3-dioxygenase using L-tryptophan as substrate by emission fluorescence analysis


J Med Chem 59: 419-30 (2016)


BindingDB Entry DOI: 10.7270/Q2FF3V69
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046146
PNG
(CHEMBL3310980)
Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H13BrN2O5S/c15-10-1-3-11(4-2-10)16-17-23(20,21)13-7-5-12(6-8-13)22-9-14(18)19/h1-8,16-17H,9H2,(H,18,19)
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n/an/a 125n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046147
PNG
(CHEMBL3310857)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(F)c(Br)c1
Show InChI InChI=1S/C14H13BrFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-14(16)13(15)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 128n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046141
PNG
(CHEMBL3310854)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C14H14BrN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 130n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046149
PNG
(CHEMBL3310978)
Show SMILES CCCC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C16H18BrN3O3S/c1-2-3-16(21)18-13-8-10-15(11-9-13)24(22,23)20-19-14-6-4-12(17)5-7-14/h4-11,19-20H,2-3H2,1H3,(H,18,21)
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046151
PNG
(CHEMBL3310979)
Show SMILES OC(=O)CCc1ccc(cc1)S(=O)(=O)NNc1ccc(Br)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c16-12-4-6-13(7-5-12)17-18-23(21,22)14-8-1-11(2-9-14)3-10-15(19)20/h1-2,4-9,17-18H,3,10H2,(H,19,20)
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127206
PNG
(CHEMBL3628604)
Show SMILES CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C23H22N4O3/c1-3-26(4-2)19(28)13-15-9-11-16(12-10-15)14-27-21-20(24-25-27)22(29)17-7-5-6-8-18(17)23(21)30/h5-12H,3-4,13-14H2,1-2H3
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n/an/a 145n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046152
PNG
(CHEMBL3310853)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
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n/an/a 155n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046104
PNG
(CHEMBL3310297)
Show SMILES O=S(=O)(CCc1ccccc1)NNc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c17-19(18,12-11-13-7-3-1-4-8-13)16-15-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
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n/an/a 167n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127158
PNG
(CHEMBL3628593)
Show SMILES OC(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H11N3O4/c22-16-12-6-1-2-7-13(12)17(23)15-14(16)19-20-21(15)9-10-4-3-5-11(8-10)18(24)25/h1-8H,9H2,(H,24,25)
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n/an/a 167n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046148
PNG
(CHEMBL3310973)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C12H11BrN2O2S/c13-10-6-8-11(9-7-10)14-15-18(16,17)12-4-2-1-3-5-12/h1-9,14-15H
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n/an/a 172n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127175
PNG
(CHEMBL3628600)
Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C24H21N5O4/c1-15(30)27-10-12-28(13-11-27)24(33)17-8-6-16(7-9-17)14-29-21-20(25-26-29)22(31)18-4-2-3-5-19(18)23(21)32/h2-9H,10-14H2,1H3
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n/an/a 176n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046150
PNG
(CHEMBL3310976)
Show SMILES Brc1ccc(NNS(=O)(=O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C13H10BrN3O2S/c14-11-3-5-12(6-4-11)16-17-20(18,19)13-7-1-10(9-15)2-8-13/h1-8,16-17H
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n/an/a 176n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50127161
PNG
(CHEMBL3628596)
Show SMILES CCN(CC)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C22H20N4O3/c1-3-25(4-2)22(29)15-11-9-14(10-12-15)13-26-19-18(23-24-26)20(27)16-7-5-6-8-17(16)21(19)28/h5-12H,3-4,13H2,1-2H3
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n/an/a 181n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TDO expressed in Escherichia coli incubated for 1 hr measured by fluorescence assay


J Med Chem 58: 7807-19 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9S7K
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM50046139
PNG
(CHEMBL3310861)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H13ClFN3O3S/c1-9(20)17-10-2-5-12(6-3-10)23(21,22)19-18-11-4-7-13(15)14(16)8-11/h2-8,18-19H,1H3,(H,17,20)
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n/an/a 194n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IDO expressed in Escherichia coli using N-formylkynurenine as substrate incubated for 1 hr prior to NaOH addition mea...


Bioorg Med Chem Lett 24: 3403-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.084
BindingDB Entry DOI: 10.7270/Q23R0VH6
More data for this
Ligand-Target Pair
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