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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Indoleamine 2,3-dioxygenase 1' and Ligand = 'BDBM223017'   
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
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM223017
PNG
(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
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PC sid
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US Patent
n/an/a<500n/an/an/an/a6.525



Incyte Corporation; Incyte Holdings Corporation

US Patent


Assay Description
Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...


US Patent US9320732 (2016)


BindingDB Entry DOI: 10.7270/Q26M35Q9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM223017
PNG
(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
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US Patent
n/an/a<500n/an/an/an/a6.525



The University of Chicago

US Patent


Assay Description
Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...


US Patent US10034939 (2018)


BindingDB Entry DOI: 10.7270/Q2NK3H2M
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM223017
PNG
(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
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n/an/a<500n/an/an/an/an/an/a


TBA

Assay Description
Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KD222H
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM223017
PNG
(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
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n/an/a<500n/an/an/an/an/an/a



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...


US Patent US9789094 (2017)


BindingDB Entry DOI: 10.7270/Q27W6F9F
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM223017
PNG
(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
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US Patent
n/an/a<500n/an/an/an/an/an/a



The University of Chicago

US Patent


Assay Description
Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...


US Patent US10967060 (2021)


BindingDB Entry DOI: 10.7270/Q2XK8JPG
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM223017
PNG
(US10034939, Example 19 | US10967060, Example 19 | ...)
Show SMILES CS(=O)(=O)NCCNc1nonc1C(Nc1ccc(F)c(c1)C#N)=NO |w:24.26|
Show InChI InChI=1S/C13H14FN7O4S/c1-26(23,24)17-5-4-16-12-11(20-25-21-12)13(19-22)18-9-2-3-10(14)8(6-9)7-15/h2-3,6,17,22H,4-5H2,1H3,(H,16,21)(H,18,19)
PDB
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PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/a6.525



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Human indoleamine 2,3-dioxygenasae (IDO) with an N-terminal His tag was expressed in E. coli and purified to homogeneity. IDO catalyzes the oxidative...


US Patent US10034864 (2018)


BindingDB Entry DOI: 10.7270/Q2SB47SX
More data for this
Ligand-Target Pair