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Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with Target = 'Tryptophanase'   
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
Tryptophanase


(Escherichia coli)
BDBM91686
PNG
(N-acetyl tryptophan)
Show SMILES CC(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)
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4.80E+7 -7.53n/an/an/an/an/a7.825



Ben-Gurion University of the Negev



Assay Description
Enzyme inhibition assay using tryptophanase.


J Enzyme Inhib Med Chem 24: 350-5 (2009)


Article DOI: 10.1080/14756360802187612
BindingDB Entry DOI: 10.7270/Q2N878DM
More data for this
Ligand-Target Pair
Tryptophanase


(Escherichia coli)
BDBM91687
PNG
(L-tryptophan-ethylester (p-toluene sulfuric acid s...)
Show SMILES CCOC(=O)C([NH3+])Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3/p+1
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5.20E+7 -7.33n/an/an/an/an/a7.825



Ben-Gurion University of the Negev



Assay Description
Enzyme inhibition assay using tryptophanase.


J Enzyme Inhib Med Chem 24: 350-5 (2009)


Article DOI: 10.1080/14756360802187612
BindingDB Entry DOI: 10.7270/Q2N878DM
More data for this
Ligand-Target Pair
Tryptophanase


(Escherichia coli)
BDBM91688
PNG
(S-phenylbenzoquinone tryptophan)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)=Nc1cc(O)c(Sc2ccccc2)cc1O
Show InChI InChI=1S/C23H18N2O4S/c26-20-12-22(30-15-6-2-1-3-7-15)21(27)11-18(20)25-19(23(28)29)10-14-13-24-17-9-5-4-8-16(14)17/h1-9,11-13,24,26-27H,10H2,(H,28,29)/b25-19-
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1.01E+8 -5.68n/an/an/an/an/a7.825



Ben-Gurion University of the Negev



Assay Description
Enzyme inhibition assay using tryptophanase.


J Enzyme Inhib Med Chem 24: 350-5 (2009)


Article DOI: 10.1080/14756360802187612
BindingDB Entry DOI: 10.7270/Q2N878DM
More data for this
Ligand-Target Pair
Tryptophanase


(Escherichia coli)
BDBM91689
PNG
(Alpha-amino-2-(9,10-anthraquinone)-popanoic acid)
Show SMILES NC(Cc1ccc2C(=O)c3ccccc3C(=O)c2c1)C(O)=O
Show InChI InChI=1S/C17H13NO4/c18-14(17(21)22)8-9-5-6-12-13(7-9)16(20)11-4-2-1-3-10(11)15(12)19/h1-7,14H,8,18H2,(H,21,22)
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1.74E+8 -4.33n/an/an/an/an/a7.825



Ben-Gurion University of the Negev



Assay Description
Enzyme inhibition assay using tryptophanase.


J Enzyme Inhib Med Chem 24: 350-5 (2009)


Article DOI: 10.1080/14756360802187612
BindingDB Entry DOI: 10.7270/Q2N878DM
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)
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
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)
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)
BDBM17448
PNG
(1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...)
Show SMILES c1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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n/an/a>4.00E+5n/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)
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)
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)
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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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)
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)
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
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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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)
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
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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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)
BDBM50303906
PNG
((E)-4-(isopropylimino)-2-methylnaphthalen-1(4H)-on...)
Show SMILES CC(C)N=C1C=C(C)C(=O)c2ccccc12
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)
BDBM50241727
PNG
((S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic ac...)
Show SMILES Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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n/an/a>4.00E+5n/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)
BDBM50303907
PNG
(2,3-dihydrobenzo[d]thiazole-2-thiol | CHEMBL570797)
Show SMILES SC1Nc2ccccc2S1
Show InChI InChI=1S/C7H7NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4,7-9H
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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)
BDBM50350284
PNG
(CHEMBL1812530)
Show SMILES COc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C16H14N2O/c1-19-15-6-2-5-14-13(11-18-16(14)15)8-7-12-4-3-9-17-10-12/h2-11,18H,1H3/b8-7+
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n/an/a>2.00E+5n/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)
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)
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)
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)
BDBM50350286
PNG
(CHEMBL1812532)
Show SMILES C\C=C\c1c[nH]c2ccccc12
Show InChI InChI=1S/C11H11N/c1-2-5-9-8-12-11-7-4-3-6-10(9)11/h2-8,12H,1H3/b5-2+
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n/an/a>8.00E+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)
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)
BDBM50350288
PNG
(CHEMBL1812534)
Show SMILES Fc1ccc2c(\C=C\c3ccc4ccccc4c3)c[nH]c2c1
Show InChI InChI=1S/C20H14FN/c21-18-9-10-19-17(13-22-20(19)12-18)8-6-14-5-7-15-3-1-2-4-16(15)11-14/h1-13,22H/b8-6+
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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)
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)
BDBM50350290
PNG
(CHEMBL1812536)
Show SMILES Fc1ccc2c(\C=C\c3cccc(Cl)c3)c[nH]c2c1
Show InChI InChI=1S/C16H11ClFN/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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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)
BDBM50350291
PNG
(CHEMBL1812537)
Show SMILES Fc1ccc2c(\C=C\c3cccc(Br)c3)c[nH]c2c1
Show InChI InChI=1S/C16H11BrFN/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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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)
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)
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)
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)
BDBM50350295
PNG
(CHEMBL1812542)
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>8.00E+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)
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)
BDBM50350297
PNG
(CHEMBL1812544)
Show SMILES C(=Cc1nnn[nH]1)c1c[nH]c2ccccc12
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)
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 2.00E+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)
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)
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)
BDBM50350300
PNG
(CHEMBL1812548)
Show SMILES OC\C=C\c1c[nH]c2cc(F)ccc12
Show InChI InChI=1S/C11H10FNO/c12-9-3-4-10-8(2-1-5-14)7-13-11(10)6-9/h1-4,6-7,13-14H,5H2/b2-1+
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n/an/a 8.00E+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)
BDBM50350301
PNG
(CHEMBL1812549)
Show SMILES Fc1ccc2c(\C=C(/C#N)c3ccccc3)c[nH]c2c1
Show InChI InChI=1S/C17H11FN2/c18-15-6-7-16-14(11-20-17(16)9-15)8-13(10-19)12-4-2-1-3-5-12/h1-9,11,20H/b13-8+
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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)
BDBM50350302
PNG
(CHEMBL1812550)
Show SMILES CCOC(=O)C(=C\c1c[nH]c2cc(F)ccc12)\C#N
Show InChI InChI=1S/C14H11FN2O2/c1-2-19-14(18)9(7-16)5-10-8-17-13-6-11(15)3-4-12(10)13/h3-6,8,17H,2H2,1H3/b9-5+
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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)
BDBM50350303
PNG
(CHEMBL1812551)
Show SMILES OC(=O)C(=C\c1c[nH]c2cc(F)ccc12)\C#N
Show InChI InChI=1S/C12H7FN2O2/c13-9-1-2-10-8(6-15-11(10)4-9)3-7(5-14)12(16)17/h1-4,6,15H,(H,16,17)/b7-3+
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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)
BDBM50350304
PNG
(CHEMBL1812552)
Show SMILES OC(=O)C(=Cc1c[nH]c2cc(F)ccc12)C(O)=O
Show InChI InChI=1S/C12H8FNO4/c13-7-1-2-8-6(5-14-10(8)4-7)3-9(11(15)16)12(17)18/h1-5,14H,(H,15,16)(H,17,18)
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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)
BDBM50350239
PNG
(CHEMBL1812553)
Show SMILES C(Cc1cccnc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H14N2/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,7-8H2
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n/an/a 8.00E+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)
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)
BDBM50127708
PNG
((1H)-indole-3-carbonitrile | 1H-Indole-3-carbonitr...)
Show SMILES N#Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
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n/an/a>8.00E+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)
BDBM50350241
PNG
(CHEMBL1812654)
Show SMILES N#CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
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n/an/a>8.00E+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)
BDBM50350242
PNG
(CHEMBL1812655)
Show SMILES N#CCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H10N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4H2
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n/an/a>8.00E+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
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