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Compile Data Set for Download or QSAR

Found 127 hits of ic50 for UniProtKB: P48776   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 2,3-dioxygenase


(Mus musculus)
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 1.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50289138
PNG
(3-((E)-2-Pyridin-3-yl-vinyl)-1H-indole | CHEMBL441...)
Show SMILES C(=C/c1cccnc1)\c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H12N2/c1-2-6-15-14(5-1)13(11-17-15)8-7-12-4-3-9-16-10-12/h1-11,17H/b8-7+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350293
PNG
(CHEMBL1812539)
Show SMILES Fc1ccc2c(\C=C\c3cccc(c3)C#N)c[nH]c2c1
Show InChI InChI=1S/C17H11FN2/c18-15-6-7-16-14(11-20-17(16)9-15)5-4-12-2-1-3-13(8-12)10-19/h1-9,11,20H/b5-4+
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
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 1.46E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO


J Med Chem 58: 8762-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00461
BindingDB Entry DOI: 10.7270/Q2C82C3F
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350248
PNG
(CHEMBL1812545)
Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5|
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 1.96E+3n/an/an/an/an/an/a



Colorado College

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO


J Med Chem 58: 8762-82 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00461
BindingDB Entry DOI: 10.7270/Q2C82C3F
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350248
PNG
(CHEMBL1812545)
Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5|
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 2.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350298
PNG
(CHEMBL1812546)
Show SMILES COC(=O)\C=C\c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C12H10FNO2/c1-16-12(15)5-2-8-7-14-11-6-9(13)3-4-10(8)11/h2-7,14H,1H3/b5-2+
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350285
PNG
(CHEMBL1812531)
Show SMILES Fc1ccc2c(\C=C\c3ccccn3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-12-5-7-14-11(10-18-15(14)9-12)4-6-13-3-1-2-8-17-13/h1-10,18H/b6-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
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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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350296
PNG
(CHEMBL1812543)
Show SMILES Fc1ccc2c(\C=C\C#N)c[nH]c2c1
Show InChI InChI=1S/C11H7FN2/c12-9-3-4-10-8(2-1-5-13)7-14-11(10)6-9/h1-4,6-7,14H/b2-1+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350294
PNG
(CHEMBL1812540)
Show SMILES [O-][N+](=O)c1cccc(\C=C\c2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C16H11FN2O2/c17-13-6-7-15-12(10-18-16(15)9-13)5-4-11-2-1-3-14(8-11)19(20)21/h1-10,18H/b5-4+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50289136
PNG
(6-Fluoro-3-((E)-2-pyridin-4-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3ccncc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-3-4-14-12(10-18-15(14)9-13)2-1-11-5-7-17-8-6-11/h1-10,18H/b2-1+
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(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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n/an/a 4.20E+3n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells using L-tryptophan substrate incubated for 24 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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50289140
PNG
(5-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2[nH]cc(\C=C\c3cccnc3)c2c1
Show InChI InChI=1S/C15H11FN2/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 5.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM32142
PNG
(5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...)
Show SMILES Nc1ccc(O)c2ncccc12
Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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n/an/a 5.46E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350240
PNG
(CHEMBL1812554)
Show SMILES c1[nH]c2ccccc2c1C#Cc1cccnc1
Show InChI InChI=1S/C15H10N2/c1-2-6-15-14(5-1)13(11-17-15)8-7-12-4-3-9-16-10-12/h1-6,9-11,17H
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
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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n/an/a 6.30E+3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350262
PNG
(CHEMBL1812506)
Show SMILES Fc1cccc2[nH]cc(\C=C\c3cccnc3)c12
Show InChI InChI=1S/C15H11FN2/c16-13-4-1-5-14-15(13)12(10-18-14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350289
PNG
(CHEMBL1812535)
Show SMILES Fc1cccc(\C=C\c2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C16H11F2N/c17-13-3-1-2-11(8-13)4-5-12-10-19-16-9-14(18)6-7-15(12)16/h1-10,19H/b5-4+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350297
PNG
(CHEMBL1812544)
Show SMILES C(=Cc1nnn[nH]1)c1c[nH]c2ccccc12 |w:0.7|
Show InChI InChI=1S/C11H9N5/c1-2-4-10-9(3-1)8(7-12-10)5-6-11-13-15-16-14-11/h1-7,12H,(H,13,14,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303901
PNG
(1,4-Dihydroxynaphthalene | 1,4-Naphthohydroquinone...)
Show SMILES Oc1ccc(O)c2ccccc12
Show InChI InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350292
PNG
(CHEMBL1812538)
Show SMILES COc1cccc(\C=C\c2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C17H14FNO/c1-20-15-4-2-3-12(9-15)5-6-13-11-19-17-10-14(18)7-8-16(13)17/h2-11,19H,1H3/b6-5+
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350308
PNG
(CHEMBL1812541)
Show SMILES N#C\C=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3+
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50514760
PNG
(CHEMBL4448402)
Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303903
PNG
(4-(Isopropylamino)-1-naphthol | CHEMBL578212)
Show SMILES CC(C)Nc1ccc(O)c2ccccc12
Show InChI InChI=1S/C13H15NO/c1-9(2)14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14-15H,1-2H3
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350248
PNG
(CHEMBL1812545)
Show SMILES Fc1ccc2c(C=Cc3nnn[nH]3)c[nH]c2c1 |w:6.5|
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 1.70E+4n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO in P815 clone 12 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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350299
PNG
(CHEMBL445966)
Show SMILES OC(=O)\C=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350254
PNG
(CHEMBL1812498)
Show SMILES C(=Cc1cccnc1)c1c[nH]c2ncccc12 |w:1.1|
Show InChI InChI=1S/C14H11N3/c1-3-11(9-15-7-1)5-6-12-10-17-14-13(12)4-2-8-16-14/h1-10H,(H,16,17)
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University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
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 2.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
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 2.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350282
PNG
(CHEMBL1812528)
Show SMILES Brc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C15H11BrN2/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>2.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50289142
PNG
(3-((E)-2-Pyridin-4-yl-vinyl)-1H-indole | CHEMBL166...)
Show SMILES C(=C/c1ccncc1)\c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H12N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-11,17H/b6-5+
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50289139
PNG
(3-((E)-2-Pyridin-2-yl-vinyl)-1H-indole | CHEMBL171...)
Show SMILES C(=C/c1ccccn1)\c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H12N2/c1-2-7-15-14(6-1)12(11-17-15)8-9-13-5-3-4-10-16-13/h1-11,17H/b9-8+
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50514752
PNG
(CHEMBL4458549)
Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H18N4O/c24-13-17-8-10-20(11-9-17)23(28)25-14-18-4-3-5-19(12-18)15-27-16-26-21-6-1-2-7-22(21)27/h1-12,16H,14-15H2,(H,25,28)
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n/an/a 3.23E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350287
PNG
(CHEMBL1812533)
Show SMILES Fc1ccc2c(\C=C\c3ccccc3)c[nH]c2c1
Show InChI InChI=1S/C16H12FN/c17-14-8-9-15-13(11-18-16(15)10-14)7-6-12-4-2-1-3-5-12/h1-11,18H/b7-6+
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350263
PNG
(CHEMBL1812507)
Show SMILES Clc1cccc2[nH]cc(\C=C\c3cccnc3)c12
Show InChI InChI=1S/C15H11ClN2/c16-13-4-1-5-14-15(13)12(10-18-14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350268
PNG
(CHEMBL1812513)
Show SMILES Brc1ccc2[nH]cc(\C=C\c3cccnc3)c2c1
Show InChI InChI=1S/C15H11BrN2/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 4.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350270
PNG
(CHEMBL1812515)
Show SMILES COc1ccc2[nH]cc(\C=C\c3cccnc3)c2c1
Show InChI InChI=1S/C16H14N2O/c1-19-14-6-7-16-15(9-14)13(11-18-16)5-4-12-3-2-8-17-10-12/h2-11,18H,1H3/b5-4+
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350243
PNG
(CHEMBL176991)
Show SMILES N#CSCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H10N2S/c12-8-14-6-5-9-7-13-11-4-2-1-3-10(9)11/h1-4,7,13H,5-6H2
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303902
PNG
(4-(ethylamino)naphthalen-1-ol | CHEMBL577335)
Show SMILES CCNc1ccc(O)c2ccccc12
Show InChI InChI=1S/C12H13NO/c1-2-13-11-7-8-12(14)10-6-4-3-5-9(10)11/h3-8,13-14H,2H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303904
PNG
((4E,4'E)-4,4'-bis(isopropylimino)-4',4'a-dihydro-2...)
Show SMILES CC(C)Nc1cc(C2=CC(=NC(C)C)c3ccccc3C2=O)c(O)c2ccccc12 |w:10.10,t:7|
Show InChI InChI=1S/C26H26N2O2/c1-15(2)27-23-13-21(25(29)19-11-7-5-9-17(19)23)22-14-24(28-16(3)4)18-10-6-8-12-20(18)26(22)30/h5-16,27,29H,1-4H3
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Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303905
PNG
((4E,4'E)-4,4'-bis(pentan-3-ylimino)-4',4'a-dihydro...)
Show SMILES CCC(CC)Nc1cc(C2=CC(=NC(CC)CC)c3ccccc3C2=O)c(O)c2ccccc12 |w:12.12,t:9|
Show InChI InChI=1S/C30H34N2O2/c1-5-19(6-2)31-27-17-25(29(33)23-15-11-9-13-21(23)27)26-18-28(32-20(7-3)8-4)22-14-10-12-16-24(22)30(26)34/h9-20,31,33H,5-8H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM310197
PNG
(US10945994, Compound 2a | US9603836, Compound 2a |...)
Show SMILES Fc1ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1 |r|
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc.; iTEOS THERAPEUTICS

US Patent


Assay Description
To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...


US Patent US10945994 (2021)


BindingDB Entry DOI: 10.7270/Q25D8W03
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM309529
PNG
(3-(5-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Fc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
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Pfizer Inc.; iTEOS THERAPEUTICS

US Patent


Assay Description
To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...


US Patent US10945994 (2021)


BindingDB Entry DOI: 10.7270/Q25D8W03
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM310195
PNG
((-)-(R)-3-(5-fluoro-1H- indol-3-yl)pyrrolidine- 2,...)
Show SMILES Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r|
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n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc.; iTEOS THERAPEUTICS

US Patent


Assay Description
To measure enzymatic activity of human IDO1, the reaction mixture contained (final concentrations) potassium phosphate buffer (50 mM, pH 6.5), ascorb...


US Patent US10945994 (2021)


BindingDB Entry DOI: 10.7270/Q25D8W03
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350307
PNG
(CHEMBL1812526)
Show SMILES Fc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C15H11FN2/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

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(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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n/an/a 6.00E+4n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO in P815 clone 12 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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50303910
PNG
(4-phenylthiazole-2-thiol | CHEMBL571436)
Show SMILES Sc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C9H7NS2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDO expressed in mouse P815B cells assessed as blockade of tryptophan degradation by HPLC


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
Tryptophan 2,3-dioxygenase


(Mus musculus)
BDBM50350247
PNG
(CHEMBL1812659)
Show SMILES C(Cc1c[nH]c2ccccc12)Sc1ccc[nH]1
Show InChI InChI=1S/C14H14N2S/c1-2-5-13-12(4-1)11(10-16-13)7-9-17-14-6-3-8-15-14/h1-6,8,10,15-16H,7,9H2
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University of Namur

Curated by ChEMBL


Assay Description
Inhibition of mouse TDO expressed in mouse P815B cells assessed as inhibition of tryptophan catabolism by measuring kynurenine production after 8 hrs...


J Med Chem 54: 5320-34 (2011)


Article DOI: 10.1021/jm2006782
BindingDB Entry DOI: 10.7270/Q2RF5W11
More data for this
Ligand-Target Pair
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