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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1180   
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))
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 120n/an/an/an/an/an/a



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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
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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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
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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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312073
PNG
(3-(6-bromo-5-fluoro- 1H-indol-3-yl)- pyrrolidine-2...)
Show SMILES Fc1cc2c(c[nH]c2cc1Br)C1CC(=O)NC1=O
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312076
PNG
(3-(5-bromo-1H-indol-3- yl)pyrrolidine-2,5-dione | ...)
Show SMILES Brc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312084
PNG
(3-(6-bromo-1H-indol-3- yl)pyrrolidine-2,5-dione | ...)
Show SMILES Brc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
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n/an/a 420n/an/an/an/an/an/a



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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312072
PNG
(3-(6-chloro-5-fluoro-1H- indol-3-yl)pyrrolidine- 2...)
Show SMILES Fc1cc2c(c[nH]c2cc1Cl)C1CC(=O)NC1=O
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312074
PNG
((R)-3-(6-bromo-5- fluoro-1H-indol-3-yl)- pyrrolidi...)
Show SMILES Fc1cc2c(c[nH]c2cc1Br)[C@H]1CC(=O)NC1=O |r|
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312088
PNG
(3-(6-fluoronaphthanlen- 1-yl)pyrrolidine-2,5- dion...)
Show SMILES Fc1ccc2c(cccc2c1)C1CC(=O)NC1=O
Show InChI InChI=1S/C14H10FNO2/c15-9-4-5-10-8(6-9)2-1-3-11(10)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312086
PNG
(3-(2,5-dioxopyrrolidin- 3-yl)-1H-indole-6- carboni...)
Show SMILES O=C1CC(C(=O)N1)c1c[nH]c2cc(ccc12)[N+]#[C-]
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312064
PNG
((-)-(R)-3-(1H-indol-3- yl)pyrrolidine-2,5-dione | ...)
Show SMILES O=C1C[C@@H](C(=O)N1)c1c[nH]c2ccccc12 |r|
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312080
PNG
(3-(5,6-difluoro-1H- indol-3-yl)pyrrolidine- 2,5-di...)
Show SMILES Fc1cc2[nH]cc(C3CC(=O)NC3=O)c2cc1F
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312069
PNG
(3-(5-chloro-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Clc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312083
PNG
(3-(6-chloro-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Clc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312070
PNG
((-)-(R)-3-(5-chloro-1H- indol-3-yl)pyrrolidine- 2,...)
Show SMILES Clc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1 |r|
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM73346
PNG
(3-(1H-indol-3-yl)-2,5-pyrrolidinedione | 3-(1H-ind...)
Show SMILES O=C1CC(C(=O)N1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H10N2O2/c15-11-5-8(12(16)14-11)9-6-13-10-4-2-1-3-7(9)10/h1-4,6,8,13H,5H2,(H,14,15,16)
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n/an/a 3.00E+3n/an/an/an/an/an/a



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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312082
PNG
(3-(6-fluoro-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Fc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312089
PNG
(3-(7-fluoronaphthanlen- 1-yl)pyrrolidine-2,5- dion...)
Show SMILES Fc1ccc2cccc(C3CC(=O)NC3=O)c2c1
Show InChI InChI=1S/C14H10FNO2/c15-9-5-4-8-2-1-3-10(11(8)6-9)12-7-13(17)16-14(12)18/h1-6,12H,7H2,(H,16,17,18)
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312075
PNG
(US9603836, Compound 10a | US9949951, 10a)
Show SMILES Fc1cc2c(c[nH]c2cc1Br)[C@@H]1CC(=O)NC1=O |r|
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312079
PNG
(3-(2,5-dioxopyrrolidin- 3-yl)-1H-indole-5- carboni...)
Show SMILES O=C1CC(C(=O)N1)c1c[nH]c2ccc(cc12)[N+]#[C-]
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312087
PNG
(3-(naphthalen-1-yl)- pyrrolidine-2,5-dione | US960...)
Show SMILES O=C1CC(C(=O)N1)c1cccc2ccccc12
Show InChI InChI=1S/C14H11NO2/c16-13-8-12(14(17)15-13)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8H2,(H,15,16,17)
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312081
PNG
(3-(5-fluoro-6-methyl- 1H-indol-3-yl)- pyrrolidine-...)
Show SMILES Cc1cc2[nH]cc(C3CC(=O)NC3=O)c2cc1F
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
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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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312065
PNG
(US9603836, Compound 4a | US9949951, 4a)
Show SMILES O=C1C[C@H](C(=O)N1)c1c[nH]c2ccccc12 |r|
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312071
PNG
(US9603836, Compound 6a | US9949951, 6a)
Show SMILES Clc1ccc2[nH]cc([C@@H]3CC(=O)NC3=O)c2c1 |r|
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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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312077
PNG
(3-(5-methyl-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Cc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+4n/an/an/an/an/an/a



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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312078
PNG
(3-(5-methoxy-1H-indol- 3-yl)pyrrolidine-2,5- dione...)
Show SMILES OCc1ccc2[nH]cc(C3CC(=O)NC3=O)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+4n/an/an/an/an/an/a



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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
BDBM312085
PNG
(3-(6-methyl-1H-indol-3- yl)pyrrolidine-2,5-dione |...)
Show SMILES Cc1ccc2c(c[nH]c2c1)C1CC(=O)NC1=O
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40E+4n/an/an/an/an/an/a



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 US9603836 (2017)


BindingDB Entry DOI: 10.7270/Q2MK6FZ8
More data for this
Ligand-Target Pair