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PubMed code 22626654

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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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MCE
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Article
PubMed
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
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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PubMed
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)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%