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Compile Data Set for Download or QSAR

Found 7 hits of ki for UniProtKB: P21643   
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


(Rattus norvegicus)
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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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
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



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
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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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
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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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
BDBM50289141
PNG
(5-Fluoro-3-((E)-2-pyridin-4-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2[nH]cc(\C=C\c3ccncc3)c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-3-4-15-14(9-13)12(10-18-15)2-1-11-5-7-17-8-6-11/h1-10,18H/b2-1+
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Article
40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
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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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Rattus norvegicus)
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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Article
100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Tryptophan dioxygenase (TDO) from rat liver


Bioorg Med Chem Lett 6: 857-860 (1996)


Article DOI: 10.1016/0960-894X(96)00124-2
BindingDB Entry DOI: 10.7270/Q2833S17
More data for this
Ligand-Target Pair