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Compile Data Set for Download or QSAR

Found 69 hits Enz. Inhib. hit(s) with Target = 'Tryptophan 2,3-dioxygenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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30n/an/an/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of liver TDO


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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880n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formy...


J Med Chem 54: 5320-34 (2011)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350248
PNG
(CHEMBL1812545)
Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1
Show InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)
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5.60E+3n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formy...


J Med Chem 54: 5320-34 (2011)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350281
PNG
(CHEMBL1812527)
Show SMILES Clc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C15H11ClN2/c16-14-5-1-4-13-12(10-18-15(13)14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+
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2.10E+4n/an/an/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Competitive inhibition of human purified TDO by Henri-Michaelis-Menten equation analysis


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350249
PNG
(CHEMBL1812547)
Show SMILES OC(=O)\C=C\c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C11H8FNO2/c12-8-2-3-9-7(1-4-11(14)15)6-13-10(9)5-8/h1-6,13H,(H,14,15)/b4-1+
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3.24E+4n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formy...


J Med Chem 54: 5320-34 (2011)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM21974
PNG
((2S)-2-amino-3-(1H-indol-3-yl)propanoic acid | CHE...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
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1.15E+7n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TDO expressed in Escherichia coli BL21 using L-tryptophan as substrate by measuring conversion of N-formy...


J Med Chem 54: 5320-34 (2011)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127205
PNG
(CHEMBL3628603)
Show SMILES COC1CCN(CC1)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C24H22N4O4/c1-32-17-10-12-27(13-11-17)24(31)16-8-6-15(7-9-16)14-28-21-20(25-26-28)22(29)18-4-2-3-5-19(18)23(21)30/h2-9,17H,10-14H2,1H3
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n/an/a 209n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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n/an/a 280n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of human TDO


J Med Chem 58: 8762-82 (2015)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127159
PNG
(CHEMBL3628594)
Show SMILES OC(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C18H11N3O4/c22-16-12-3-1-2-4-13(12)17(23)15-14(16)19-20-21(15)9-10-5-7-11(8-6-10)18(24)25/h1-8H,9H2,(H,24,25)
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n/an/a 312n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127136
PNG
(CHEMBL1442185)
Show SMILES Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C18H13N3O2/c1-11-6-2-3-7-12(11)10-21-16-15(19-20-21)17(22)13-8-4-5-9-14(13)18(16)23/h2-9H,10H2,1H3
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n/an/a 561n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350248
PNG
(CHEMBL1812545)
Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1
Show InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)
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n/an/a 620n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of human TDO


J Med Chem 58: 8762-82 (2015)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127135
PNG
(CHEMBL3628551)
Show SMILES Clc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C17H10ClN3O2/c18-11-5-3-4-10(8-11)9-21-15-14(19-20-21)16(22)12-6-1-2-7-13(12)17(15)23/h1-8H,9H2
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n/an/a 711n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127155
PNG
(CHEMBL3628554)
Show SMILES Brc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C17H10BrN3O2/c18-11-5-3-4-10(8-11)9-21-15-14(19-20-21)16(22)12-6-1-2-7-13(12)17(15)23/h1-8H,9H2
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n/an/a 768n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50126144
PNG
(CHEMBL3629569)
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<1.00E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of TDO (unknown origin)


J Med Chem 58: 8762-82 (2015)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50126145
PNG
(CHEMBL3629570)
Show SMILES O=C(CC1c2ccccc2-c2cncn12)C1CCCCC1
Show InChI InChI=1/C18H20N2O/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/h4-5,8-9,11-13,16H,1-3,6-7,10H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of TDO (unknown origin)


J Med Chem 58: 8762-82 (2015)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127139
PNG
(CHEMBL3628553)
Show SMILES Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)10-21-16-15(19-20-21)17(22)13-4-2-3-5-14(13)18(16)23/h2-9H,10H2,1H3
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n/an/a 1.09E+3n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of human purified TDO assessed as formation of kynurenine from N-formylkynurenine preincubated for 10 mins measured after 5 to 20 mins by ...


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127156
PNG
(CHEMBL3628555)
Show SMILES Brc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C17H10BrN3O2/c18-11-7-5-10(6-8-11)9-21-15-14(19-20-21)16(22)12-3-1-2-4-13(12)17(15)23/h1-8H,9H2
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n/an/a 1.59E+3n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM70489
PNG
(1-(3-methylbenzyl)-1H-naphtho[2,3-d][1,2,3]triazol...)
Show SMILES Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
Show InChI InChI=1S/C18H13N3O2/c1-11-5-4-6-12(9-11)10-21-16-15(19-20-21)17(22)13-7-2-3-8-14(13)18(16)23/h2-9H,10H2,1H3
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n/an/a 1.75E+3n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350275
PNG
(CHEMBL1812520)
Show SMILES Clc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11ClN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of human purified TDO assessed as formation of kynurenine from N-formylkynurenine preincubated for 10 mins measured after 5 to 20 mins by ...


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127157
PNG
(CHEMBL3628556)
Show SMILES Clc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C17H10ClN3O2/c18-11-7-5-10(6-8-11)9-21-15-14(19-20-21)16(22)12-3-1-2-4-13(12)17(15)23/h1-8H,9H2
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n/an/a 6.46E+3n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50127137
PNG
(CHEMBL3628552)
Show SMILES Fc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1
Show InChI InChI=1S/C17H10FN3O2/c18-11-7-5-10(6-8-11)9-21-15-14(19-20-21)16(22)12-3-1-2-4-13(12)17(15)23/h1-8H,9H2
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n/an/a 7.38E+3n/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)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of tryptophan 2,3-dioxygenase


J Med Chem 52: 7364-7 (2009)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
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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n/an/a>1.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of tryptophan 2,3-dioxygenase by cell-based assay


J Med Chem 52: 7364-7 (2009)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350267
PNG
(CHEMBL1812512)
Show SMILES Clc1ccc2[nH]cc(\C=C\c3cccnc3)c2c1
Show InChI InChI=1S/C15H11ClN2/c16-13-5-6-15-14(8-13)12(10-18-15)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of human purified TDO assessed as formation of kynurenine from N-formylkynurenine preincubated for 10 mins measured after 5 to 20 mins by ...


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350248
PNG
(CHEMBL1812545)
Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1
Show InChI InChI=1S/C11H8FN5/c12-8-2-3-9-7(6-13-10(9)5-8)1-4-11-14-16-17-15-11/h1-6,13H,(H,14,15,16,17)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350281
PNG
(CHEMBL1812527)
Show SMILES Clc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C15H11ClN2/c16-14-5-1-4-13-12(10-18-15(13)14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of human purified TDO assessed as initial rate of L-Trp oxidation at 100 uM of substrate concentration


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50350281
PNG
(CHEMBL1812527)
Show SMILES Clc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C15H11ClN2/c16-14-5-1-4-13-12(10-18-15(13)14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of human purified TDO assessed as formation of kynurenine from N-formylkynurenine preincubated for 10 mins measured after 5 to 20 mins by ...


Eur J Med Chem 54: 95-102 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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>6.25E+4n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of TDO (unknown origin)


J Med Chem 58: 8762-82 (2015)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50300305
PNG
(4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2...)
Show SMILES Nc1nonc1C(NO)=Nc1ccc(F)c(Cl)c1
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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n/an/a 7.00E+4n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
BDBM50391364
PNG
(CHEMBL2148077)
Show SMILES Clc1cccc(-c2c[nH]nn2)c1Cl
Show InChI InChI=1S/C8H5Cl2N3/c9-6-3-1-2-5(8(6)10)7-4-11-13-12-7/h1-4H,(H,11,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens)
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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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of human TDO transfected in mouse P815B clone 19 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)

More data for this
Ligand-Target Pair
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