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Compile Data Set for Download or QSAR

Found 160 hits of ic50 for UniProtKB: P28776   
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
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578623
PNG
(CHEMBL4858888)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578625
PNG
(CHEMBL4855340)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,18.21,(31.16,-49.31,;31.94,-50.76,;33.11,-51.77,;34.58,-51.26,;34.85,-49.74,;33.69,-48.73,;32.23,-49.24,;36.31,-49.23,;36.59,-47.71,;38.05,-47.2,;39.23,-48.21,;38.93,-49.73,;40.14,-50.67,;39.94,-52.19,;38.51,-52.78,;38.3,-54.3,;37.29,-51.83,;37.51,-50.31,;30.48,-51.26,;30.19,-52.77,;29.32,-50.25,;27.86,-50.76,;29.61,-48.74,;28.44,-47.73,;28.74,-46.23,;27.58,-45.22,;26.12,-45.72,;24.95,-44.72,;25.83,-47.25,;27,-48.25,)|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50550026
PNG
(CHEMBL4786690)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391363
PNG
(CHEMBL2148074)
Show SMILES Oc1ccc(Cl)cc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12)
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n/an/a 2n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50550026
PNG
(CHEMBL4786690)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578624
PNG
(CHEMBL4856710)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r|
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TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559669
PNG
(CHEMBL4756822)
Show SMILES CCC([C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F)c1nc2ncc(Cl)cc2[nH]1 |r,wU:6.9,3.2,(5.53,-5.77,;5.53,-7.31,;6.87,-8.07,;6.87,-9.62,;8.2,-10.39,;8.2,-11.94,;6.87,-12.7,;5.53,-11.94,;5.53,-10.39,;6.87,-14.25,;5.52,-15.02,;5.52,-16.57,;6.87,-17.35,;8.21,-16.56,;9.55,-17.33,;10.88,-16.55,;10.87,-15,;9.53,-14.24,;8.21,-15.02,;12.2,-14.22,;13.54,-14.98,;12.19,-12.68,;13.53,-13.44,;8.2,-7.31,;8.2,-5.76,;9.66,-5.28,;10.29,-3.87,;11.82,-3.71,;12.72,-4.96,;14.26,-4.78,;12.09,-6.36,;10.56,-6.53,;9.66,-7.77,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559672
PNG
(CHEMBL4750211)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.71,-8.61,;6.22,-8.87,;4.89,-9.64,;4.89,-11.19,;6.22,-11.96,;7.56,-11.19,;7.56,-9.64,;6.22,-13.51,;4.89,-14.28,;4.89,-15.82,;6.23,-16.59,;7.56,-15.82,;8.88,-16.59,;10.22,-15.82,;10.23,-14.27,;11.56,-13.49,;8.88,-13.51,;7.56,-14.27,;6.22,-7.32,;4.89,-6.55,;4.89,-5.02,;7.56,-6.56,;7.56,-5.01,;9.02,-4.53,;9.65,-3.12,;11.18,-2.96,;12.08,-4.21,;13.62,-4.03,;11.45,-5.61,;9.92,-5.78,;9.02,-7.02,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50550030
PNG
(CHEMBL4743409)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1 |r,wU:4.7,18.21,wD:1.0,(9.78,-48.44,;9.8,-49.98,;8.46,-49.21,;7.12,-49.98,;7.13,-51.52,;8.47,-52.29,;9.79,-51.52,;5.79,-52.29,;4.46,-51.52,;3.14,-52.3,;3.15,-53.83,;4.47,-54.58,;4.47,-56.13,;5.8,-56.9,;7.14,-56.13,;8.47,-56.9,;7.13,-54.58,;5.8,-53.82,;11.13,-49.21,;11.13,-47.67,;12.47,-49.98,;12.46,-51.52,;11.12,-52.29,;13.8,-52.3,;13.79,-53.83,;15.12,-54.6,;16.46,-53.83,;16.46,-52.29,;15.12,-51.52,;17.78,-54.6,;17.78,-56.14,;19.11,-56.91,;20.45,-56.14,;20.45,-54.59,;19.11,-53.83,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571886
PNG
(CHEMBL4861763)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccncc1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,14.16,wD:1.0,(48.54,-31.73,;48.95,-33.21,;47.63,-32.44,;46.29,-33.21,;46.29,-34.76,;47.63,-35.52,;48.95,-34.76,;44.96,-35.53,;43.62,-34.76,;42.29,-35.53,;42.29,-37.08,;43.64,-37.83,;44.97,-37.06,;46.3,-37.82,;50.29,-32.45,;50.29,-30.91,;51.62,-33.22,;51.62,-34.76,;50.28,-35.53,;52.95,-35.54,;52.94,-37.08,;54.27,-37.85,;55.61,-37.09,;56.94,-37.86,;55.61,-35.54,;54.28,-34.77,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571884
PNG
(CHEMBL4859400)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(F)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(7.89,-49.37,;8.3,-50.85,;6.98,-50.08,;5.64,-50.85,;5.64,-52.39,;6.98,-53.16,;8.3,-52.39,;4.31,-53.17,;2.98,-52.39,;1.64,-53.17,;1.64,-54.71,;2.99,-55.47,;3,-57,;4.32,-54.7,;5.65,-55.46,;9.64,-50.09,;9.64,-48.55,;10.97,-50.86,;10.97,-52.4,;9.63,-53.17,;12.3,-53.18,;12.29,-54.72,;13.62,-55.49,;14.96,-54.73,;16.29,-55.49,;14.96,-53.18,;13.63,-52.41,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50285416
PNG
(CHEMBL4161733)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)|
Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559671
PNG
(CHEMBL4750659)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)C(CC)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,wD:1.0,(4.82,-9.26,;6.33,-9.52,;5,-10.3,;5,-11.84,;6.33,-12.61,;7.67,-11.84,;7.67,-10.3,;6.33,-14.16,;5,-14.93,;5,-16.47,;6.34,-17.24,;7.66,-16.47,;8.99,-17.24,;10.33,-16.47,;10.34,-14.92,;11.67,-14.14,;8.99,-14.16,;7.67,-14.93,;6.33,-7.98,;5,-7.21,;5,-5.67,;7.67,-7.21,;7.67,-5.66,;9.13,-5.18,;9.76,-3.77,;11.29,-3.61,;12.19,-4.86,;13.73,-4.68,;11.56,-6.26,;10.03,-6.43,;9.13,-7.68,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50285416
PNG
(CHEMBL4161733)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:18.21,1.0,wD:4.7,(66.16,-9.22,;66.17,-7.68,;66.16,-6.15,;67.5,-5.38,;68.84,-6.15,;68.83,-7.69,;67.5,-8.46,;70.18,-5.39,;71.5,-6.16,;72.84,-5.4,;72.84,-3.85,;71.5,-3.08,;71.5,-1.55,;70.17,-.79,;68.84,-1.56,;67.5,-.8,;68.85,-3.09,;70.18,-3.85,;64.83,-8.46,;64.84,-10,;63.5,-7.69,;63.49,-6.14,;62.16,-8.46,;60.83,-7.69,;59.49,-8.47,;58.15,-7.69,;58.16,-6.14,;56.82,-5.38,;59.49,-5.38,;60.83,-6.14,)|
Show InChI InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578625
PNG
(CHEMBL4855340)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,18.21,(31.16,-49.31,;31.94,-50.76,;33.11,-51.77,;34.58,-51.26,;34.85,-49.74,;33.69,-48.73,;32.23,-49.24,;36.31,-49.23,;36.59,-47.71,;38.05,-47.2,;39.23,-48.21,;38.93,-49.73,;40.14,-50.67,;39.94,-52.19,;38.51,-52.78,;38.3,-54.3,;37.29,-51.83,;37.51,-50.31,;30.48,-51.26,;30.19,-52.77,;29.32,-50.25,;27.86,-50.76,;29.61,-48.74,;28.44,-47.73,;28.74,-46.23,;27.58,-45.22,;26.12,-45.72,;24.95,-44.72,;25.83,-47.25,;27,-48.25,)|
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
In vivo inhibition of IDO1 in tumor of po dosed NSG mouse xenografted with human SKOV3 cells assessed as reduction in KYN level administered twice da...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571885
PNG
(CHEMBL4877466)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1C)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,15.17,wD:1.0,(67.15,-31.42,;67.56,-32.91,;66.24,-32.13,;64.9,-32.91,;64.9,-34.45,;66.24,-35.21,;67.56,-34.45,;63.57,-35.22,;62.23,-34.45,;60.9,-35.22,;60.9,-36.77,;62.25,-37.52,;62.26,-39.06,;63.58,-36.75,;64.91,-37.52,;68.9,-32.14,;68.9,-30.6,;70.23,-32.91,;70.23,-34.45,;68.89,-35.22,;71.56,-35.23,;71.55,-36.77,;72.88,-37.54,;74.22,-36.78,;75.55,-37.55,;74.22,-35.23,;72.89,-34.46,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571881
PNG
(CHEMBL4845988)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(66.33,-47.56,;66.74,-49.04,;65.42,-48.27,;64.08,-49.04,;64.08,-50.59,;65.42,-51.35,;66.74,-50.59,;62.75,-51.36,;61.41,-50.59,;60.08,-51.36,;60.08,-52.91,;61.43,-53.66,;61.44,-55.2,;60.12,-55.97,;62.76,-52.89,;64.09,-53.65,;65.41,-52.88,;64.09,-55.19,;68.08,-48.28,;68.08,-46.74,;69.41,-45.98,;69.41,-49.05,;69.41,-50.59,;68.07,-51.36,;70.74,-51.37,;70.73,-52.91,;72.06,-53.68,;73.4,-52.92,;74.73,-53.69,;73.4,-51.37,;72.07,-50.6,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559678
PNG
(CHEMBL4763467)
Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(cc12)C(F)(F)F |r,wU:20.25,17.18,(3.21,-6.32,;4.54,-5.54,;5.87,-6.32,;7.22,-5.54,;8.55,-6.32,;8.88,-7.82,;10.42,-7.99,;11.04,-6.61,;9.89,-5.54,;12.53,-6.21,;12.93,-4.73,;14.42,-4.33,;15.51,-5.42,;17,-5.02,;17.4,-3.53,;15.11,-6.9,;13.63,-7.31,;5.87,-7.86,;7.22,-8.63,;7.22,-10.18,;5.87,-10.95,;4.54,-10.18,;4.54,-8.63,;5.87,-12.49,;4.54,-13.26,;4.54,-14.8,;5.89,-15.58,;7.21,-14.8,;8.55,-15.56,;9.87,-14.78,;9.87,-13.25,;8.53,-12.5,;7.22,-13.26,;11.2,-12.49,;12.54,-13.26,;11.21,-10.95,;12.53,-11.71,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571883
PNG
(CHEMBL4868709)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(28.06,-49.01,;28.46,-50.5,;27.14,-49.72,;25.81,-50.5,;25.81,-52.04,;27.14,-52.81,;28.46,-52.04,;24.48,-52.82,;23.14,-52.04,;21.81,-52.82,;21.81,-54.36,;23.16,-55.12,;23.17,-56.65,;21.84,-57.42,;24.48,-54.34,;25.81,-55.11,;29.8,-49.73,;29.81,-48.19,;31.14,-47.43,;31.14,-50.51,;31.13,-52.05,;29.79,-52.82,;32.46,-52.82,;32.45,-54.36,;33.78,-55.13,;35.12,-54.37,;36.46,-55.14,;35.12,-52.82,;33.79,-52.05,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50549535
PNG
(CHEMBL4763375)
Show SMILES [H][C@@]1(CC[C@@]2(COc3cc(ccc23)C(F)(F)F)CC1)[C@H](C)C(=O)Nc1ccc(Cl)cc1 |r,wU:4.4,19.22,wD:1.0,(49.52,-49.21,;49.47,-50.71,;50.8,-49.93,;52.14,-50.7,;52.14,-52.25,;53.43,-51.41,;54.62,-52.38,;54.07,-53.81,;54.76,-55.17,;53.93,-56.45,;52.39,-56.37,;51.7,-55,;52.54,-53.72,;54.62,-57.81,;55.95,-57.04,;55.96,-58.58,;53.79,-59.11,;50.8,-53.03,;49.47,-52.25,;48.13,-49.95,;48.12,-48.41,;46.79,-50.72,;46.79,-52.27,;45.45,-49.96,;44.12,-50.73,;44.12,-52.29,;42.78,-53.07,;41.44,-52.29,;40.1,-53.06,;41.44,-50.74,;42.77,-49.97,)|
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n/an/a 7.80n/an/an/an/an/an/a


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Assay Description
Inhibition of mouse IDO1 expressed in HEK cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50514760
PNG
(CHEMBL4448402)
Show SMILES O=C(NCc1cccc(Cn2cnc3ccccc23)c1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H20N4O/c29-24(22-13-19-8-1-2-9-20(19)27-22)25-14-17-6-5-7-18(12-17)15-28-16-26-21-10-3-4-11-23(21)28/h1-13,16,27H,14-15H2,(H,25,29)
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n/an/a 9.30n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571880
PNG
(CHEMBL4851220)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](COC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.20,wD:1.0,(10.11,-4.67,;10.52,-6.16,;9.2,-5.38,;7.87,-6.16,;7.87,-7.7,;9.2,-8.46,;10.52,-7.7,;6.54,-8.47,;5.2,-7.7,;3.86,-8.47,;3.87,-10.02,;5.21,-10.77,;5.22,-12.31,;3.9,-13.08,;6.54,-10,;7.87,-10.77,;9.2,-10,;7.88,-12.3,;11.86,-5.39,;11.86,-3.85,;13.2,-3.09,;13.2,-1.56,;13.19,-6.16,;13.19,-7.71,;11.85,-8.48,;14.52,-8.48,;14.51,-10.02,;15.84,-10.79,;17.18,-10.03,;18.52,-10.8,;17.18,-8.48,;15.85,-7.71,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50550037
PNG
(CHEMBL4755937)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(5,-8.36,;6.52,-8.62,;5.18,-9.39,;5.18,-10.94,;6.52,-11.71,;7.85,-10.94,;7.85,-9.39,;6.52,-13.26,;5.18,-14.03,;5.18,-15.56,;6.52,-16.34,;7.85,-15.57,;9.18,-16.34,;10.52,-15.57,;10.52,-14.02,;11.86,-13.24,;9.18,-13.26,;7.85,-14.03,;6.52,-7.07,;5.18,-6.31,;7.85,-6.31,;7.85,-4.76,;9.32,-4.28,;9.94,-2.87,;11.47,-2.71,;12.37,-3.96,;13.92,-3.78,;11.75,-5.36,;10.22,-5.53,;9.31,-6.77,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50514753
PNG
(CHEMBL4557994)
Show SMILES Brc1c[nH]c(c1)C(=O)NCc1cccc(Cn2cnc3ccccc23)c1
Show InChI InChI=1S/C20H17BrN4O/c21-16-9-18(22-11-16)20(26)23-10-14-4-3-5-15(8-14)12-25-13-24-17-6-1-2-7-19(17)25/h1-9,11,13,22H,10,12H2,(H,23,26)
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n/an/a 13n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 transfected in P815 cells assessed as reduction in L-Kyn level measured after 16 hrs by HPLC analysis


J Med Chem 63: 3047-3065 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01809
BindingDB Entry DOI: 10.7270/Q29K4FKS
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559681
PNG
(CHEMBL4750132)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)Nc1nnc(o1)-c1ccc(OC)cc1 |wU:4.7,18.21,wD:1.0,(1.38,-4.24,;2.86,-4.64,;1.53,-5.41,;1.53,-6.95,;2.86,-7.72,;4.2,-6.95,;4.2,-5.41,;2.86,-9.26,;1.53,-10.02,;1.53,-11.56,;2.87,-12.34,;4.2,-11.56,;5.54,-12.33,;6.86,-11.55,;6.85,-10.02,;8.18,-9.25,;5.52,-9.26,;4.2,-10.03,;2.86,-3.1,;1.53,-2.33,;4.2,-2.33,;5.53,-3.1,;5.86,-4.59,;7.4,-4.76,;8.02,-3.39,;6.86,-2.33,;9.51,-2.99,;9.91,-1.51,;11.39,-1.11,;12.48,-2.2,;13.97,-1.8,;14.37,-.31,;12.09,-3.68,;10.6,-4.09,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578622
PNG
(CHEMBL4861332)
Show SMILES [H][C@]12C[C@@H](C[C@@]1([H])[C@]2([H])[C@@H](CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)c(F)cc12 |r|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571879
PNG
(CHEMBL4848094)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1C(F)F)[C@@H](CC)NC(=O)c1ccc(OC)nc1 |r,wU:4.7,18.20,wD:1.0,(34.27,-3.48,;34.68,-4.96,;33.36,-4.19,;32.03,-4.96,;32.03,-6.5,;33.36,-7.27,;34.68,-6.5,;30.7,-7.28,;29.36,-6.51,;28.03,-7.28,;28.03,-8.82,;29.37,-9.58,;29.38,-11.12,;28.06,-11.89,;30.7,-8.81,;32.03,-9.57,;33.36,-8.8,;32.04,-11.11,;36.02,-4.2,;36.03,-2.66,;37.36,-1.9,;37.35,-4.97,;37.35,-6.51,;36.01,-7.28,;38.68,-7.29,;40.01,-6.52,;41.34,-7.29,;41.34,-8.84,;42.68,-9.61,;42.68,-11.14,;40,-9.6,;38.67,-8.83,)|
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571887
PNG
(CHEMBL4859579)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(C)c1)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:14.16,1.0,wD:4.7,(28.48,-32.3,;28.88,-33.79,;28.88,-35.33,;27.56,-36.1,;26.23,-35.33,;26.23,-33.79,;27.56,-33.01,;24.9,-36.11,;23.56,-35.33,;22.23,-36.11,;22.23,-37.65,;23.58,-38.41,;23.59,-39.94,;24.9,-37.64,;30.22,-33.03,;30.23,-31.48,;31.56,-33.8,;31.55,-35.34,;30.21,-36.11,;32.88,-36.12,;32.87,-37.65,;34.2,-38.42,;35.54,-37.66,;36.88,-38.43,;35.54,-36.11,;34.21,-35.34,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391358
PNG
(CHEMBL2147989)
Show SMILES Clc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 20n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50550028
PNG
(CHEMBL4747228)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(OC)c(c1)N1CCOCC1 |r,wU:4.7,18.21,wD:1.0,(28.54,-48.21,;28.56,-49.75,;27.22,-48.98,;25.88,-49.75,;25.89,-51.29,;27.23,-52.06,;28.55,-51.29,;24.55,-52.06,;23.22,-51.3,;21.89,-52.07,;21.91,-53.6,;23.23,-54.36,;23.23,-55.9,;24.56,-56.67,;25.9,-55.9,;27.23,-56.67,;25.89,-54.35,;24.56,-53.59,;29.89,-48.99,;29.89,-47.45,;31.22,-49.76,;31.22,-51.29,;29.88,-52.06,;32.56,-52.07,;32.55,-53.61,;33.88,-54.38,;35.22,-53.61,;36.55,-54.38,;36.55,-55.92,;35.21,-52.06,;33.88,-51.3,;36.54,-51.29,;37.88,-52.06,;39.2,-51.3,;39.21,-49.76,;37.87,-48.99,;36.53,-49.76,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by IFNgamma stimulation and measured after 18 hrs by


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00668
BindingDB Entry DOI: 10.7270/Q2TM7FR5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559680
PNG
(CHEMBL4780978)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2cc(F)ccc2[nH]1 |wU:4.7,18.21,wD:1.0,(2.35,-2.85,;3.84,-3.25,;2.51,-4.02,;2.51,-5.56,;3.84,-6.33,;5.18,-5.56,;5.18,-4.02,;3.84,-7.87,;2.51,-8.64,;2.51,-10.18,;3.85,-10.95,;5.18,-10.18,;6.51,-10.94,;7.83,-10.16,;7.83,-8.64,;9.16,-7.87,;6.5,-7.88,;5.18,-8.64,;3.84,-1.71,;2.51,-.94,;5.18,-.94,;5.18,.6,;6.68,1.07,;7.29,2.43,;8.79,2.58,;9.56,3.92,;9.67,1.37,;9.06,-0,;7.56,-.15,;6.64,-1.4,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391359
PNG
(CHEMBL2147998)
Show SMILES Oc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H7N3O/c12-8-4-2-1-3-6(8)7-5-9-11-10-7/h1-5,12H,(H,9,10,11)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571882
PNG
(CHEMBL4860353)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc(OC)c1F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,16.18,wD:1.0,(48.04,-48.32,;48.45,-49.8,;47.12,-49.03,;45.79,-49.8,;45.79,-51.34,;47.12,-52.11,;48.45,-51.34,;44.46,-52.12,;43.12,-51.35,;41.79,-52.12,;41.79,-53.66,;43.14,-54.42,;43.15,-55.96,;41.83,-56.73,;44.47,-53.65,;45.8,-54.41,;49.78,-49.04,;49.79,-47.5,;51.12,-46.74,;51.12,-49.81,;51.11,-51.35,;49.78,-52.12,;52.45,-52.13,;52.43,-53.67,;53.77,-54.44,;55.11,-53.68,;56.44,-54.45,;55.11,-52.13,;53.77,-51.36,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578649
PNG
(CHEMBL4866113)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(CC)NC(=O)c1ccc(Cl)cc1)n1cnc2cc(F)ccc12 |r|
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse Panc02 cells incubated for 48 hrs by RFMS method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578626
PNG
(CHEMBL4870435)
Show SMILES CC1(C)CN(CC[C@@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F |r|
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578621
PNG
(CHEMBL4853212)
Show SMILES CC1(C)CN(CC[C@]11NC(=O)NC1=O)c1cc(cc2cncn12)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of IDO1 in mouse Panc02 cells assessed as reduction in NFK level incubated for 48 hrs by RFMS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM17467
PNG
(1,2,3-triazole analogue, 23 | 5-(3-bromophenyl)-1H...)
Show SMILES Brc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50578624
PNG
(CHEMBL4856710)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])[C@H]2C(C)NC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(F)cc12 |r|
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n/an/a 25n/an/an/an/an/an/a


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Assay Description
In vivo inhibition of IDO1 in tumor of po dosed NSG mouse xenografted with human SKOV3 cells assessed as reduction in KYN level administered as singl...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00679
BindingDB Entry DOI: 10.7270/Q2RJ4P9S
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50529361
PNG
(CHEMBL4515137 | US10988487, Example 52)
Show SMILES OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O |r|
Show InChI InChI=1S/C15H17FN6O4/c16-9-2-1-8-5-11(10(8)6-9)19-15(20-25)13-14(22-26-21-13)18-7-12(24)17-3-4-23/h1-2,6,11,23,25H,3-5,7H2,(H,17,24)(H,18,22)(H,19,20)/t11-/m0/s1
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Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 preincubated for 30 mins followed by substrate tryptophan addition and measured after 60 mins by fluorescence based assay


ACS Med Chem Lett 10: 1530-1536 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00344
BindingDB Entry DOI: 10.7270/Q22B92G6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391365
PNG
(CHEMBL2147990)
Show SMILES N#Cc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C9H6N4/c10-5-7-2-1-3-8(4-7)9-6-11-13-12-9/h1-4,6H,(H,11,12,13)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50391372
PNG
(CHEMBL2147992)
Show SMILES CCc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C10H11N3/c1-2-8-4-3-5-9(6-8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13)
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Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571891
PNG
(CHEMBL4849714)
Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cncc(OC)c1)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:15.17,wD:4.7,1.0,(27.52,-17.21,;27.93,-18.7,;27.93,-20.24,;26.61,-21.01,;25.28,-20.24,;25.28,-18.7,;26.61,-17.93,;23.94,-21.02,;22.61,-20.24,;21.27,-21.02,;21.27,-22.56,;22.62,-23.32,;22.63,-24.85,;21.31,-25.63,;23.95,-22.55,;29.27,-17.94,;29.27,-16.4,;30.6,-15.63,;30.6,-18.71,;30.6,-20.25,;29.26,-21.02,;31.93,-21.03,;31.92,-22.57,;33.25,-23.34,;34.59,-22.57,;35.92,-23.34,;34.59,-21.03,;33.26,-20.25,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559679
PNG
(CHEMBL4752094)
Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |wU:20.25,17.18,(1.91,-2.89,;3.24,-2.12,;4.57,-2.89,;5.91,-2.12,;7.24,-2.89,;7.58,-4.39,;9.11,-4.56,;9.73,-3.19,;8.58,-2.12,;11.22,-2.79,;11.62,-1.3,;13.1,-.91,;14.19,-2,;15.68,-1.6,;16.08,-.11,;13.8,-3.48,;12.31,-3.88,;4.57,-4.43,;5.91,-5.2,;5.91,-6.74,;4.57,-7.51,;3.24,-6.74,;3.24,-5.2,;4.57,-9.05,;3.24,-9.82,;3.24,-11.36,;4.58,-12.13,;5.91,-11.36,;7.25,-12.12,;8.57,-11.35,;8.56,-9.82,;9.89,-9.05,;7.23,-9.06,;5.91,-9.82,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50355861
PNG
(CHEMBL1909733)
Show SMILES Brc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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n/an/a 34n/an/an/an/an/an/a



Ludwig Center for Cancer Research of the University of Lausanne

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO1 in P815 clone 6 cells by HPLC analysis


J Med Chem 55: 5270-90 (2012)


Article DOI: 10.1021/jm300260v
BindingDB Entry DOI: 10.7270/Q27H1KNW
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559677
PNG
(CHEMBL4746203)
Show SMILES CCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2c(F)cc(F)cc12 |r,wU:20.25,17.18,(3.44,-6.79,;4.77,-6.02,;6.11,-6.79,;7.45,-6.02,;8.78,-6.79,;9.11,-8.29,;10.65,-8.46,;11.27,-7.08,;10.11,-6.02,;12.76,-6.68,;13.16,-5.2,;14.65,-4.8,;15.74,-5.89,;17.22,-5.49,;17.62,-4,;15.34,-7.37,;13.86,-7.78,;6.11,-8.33,;7.45,-9.1,;7.45,-10.65,;6.11,-11.42,;4.77,-10.65,;4.77,-9.1,;6.11,-12.96,;4.78,-13.73,;4.78,-15.27,;6.12,-16.05,;7.44,-15.27,;8.78,-16.03,;8.79,-17.57,;10.1,-15.25,;10.1,-13.72,;11.43,-12.96,;8.76,-12.96,;7.45,-13.73,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559673
PNG
(CHEMBL4779097)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)c1nc2ncc(Cl)cc2[nH]1 |r,wU:4.7,18.21,wD:1.0,(4.37,-8.37,;5.88,-8.63,;4.55,-9.4,;4.55,-10.95,;5.88,-11.71,;7.22,-10.95,;7.22,-9.4,;5.88,-13.27,;4.54,-14.04,;4.54,-15.57,;5.89,-16.35,;7.21,-15.57,;8.54,-16.35,;9.88,-15.58,;9.88,-14.03,;11.22,-13.25,;8.54,-13.26,;7.22,-14.03,;5.88,-7.08,;4.55,-6.31,;7.22,-6.31,;7.21,-4.77,;8.68,-4.29,;9.31,-2.88,;10.83,-2.72,;11.74,-3.96,;13.28,-3.79,;11.11,-5.37,;9.58,-5.54,;8.68,-6.78,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50549536
PNG
(CHEMBL4751227)
Show SMILES CC[C@H](N1CCC2(COc3cc(ccc23)C(F)(F)F)CC1)C(=O)Nc1ccc(Cl)cc1 |r|
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse IDO1 expressed in HEK cells


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127738
BindingDB Entry DOI: 10.7270/Q270851B
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50571888
PNG
(CHEMBL4847982)
Show SMILES [H][C@@]1(CC[C@@H](CC1)c1cccc(n1)C(F)(F)F)[C@@H](CC)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,17.19,1.0,(8.43,-31.44,;8.83,-32.93,;7.51,-32.15,;6.18,-32.93,;6.18,-34.47,;7.51,-35.23,;8.83,-34.47,;4.85,-35.25,;3.51,-34.47,;2.18,-35.24,;2.18,-36.79,;3.53,-37.55,;4.85,-36.77,;3.53,-39.08,;5.06,-39.08,;4.3,-40.4,;2.21,-39.85,;10.17,-32.16,;10.18,-30.62,;11.51,-29.86,;11.51,-32.94,;11.5,-34.48,;10.16,-35.25,;12.83,-35.25,;12.82,-36.79,;14.15,-37.56,;15.49,-36.8,;16.83,-37.57,;15.49,-35.25,;14.16,-34.48,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated mouse M109 cells preincubated for 2 hrs followed by recombinant murine IFNgamma stimulation and measured af...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00236
BindingDB Entry DOI: 10.7270/Q2KS6W9W
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1


(Mus musculus)
BDBM50559675
PNG
(CHEMBL4796040)
Show SMILES COCC(Nc1nnc(o1)-c1ccc(OC)cc1)[C@H]1CC[C@H](CC1)c1ccnc2ccc(F)cc12 |r,wU:21.26,18.19,(3.5,-4.34,;4.84,-5.11,;6.17,-4.33,;7.51,-5.11,;8.85,-4.33,;10.18,-5.11,;10.51,-6.6,;12.05,-6.78,;12.67,-5.4,;11.52,-4.33,;14.17,-5,;14.57,-3.51,;16.05,-3.12,;17.15,-4.2,;18.63,-3.8,;19.03,-2.31,;16.74,-5.69,;15.26,-6.1,;7.51,-6.64,;8.85,-7.42,;8.85,-8.96,;7.51,-9.73,;6.17,-8.96,;6.17,-7.42,;7.51,-11.28,;6.18,-12.05,;6.18,-13.58,;7.52,-14.36,;8.85,-13.58,;10.18,-14.35,;11.5,-13.57,;11.5,-12.04,;12.83,-11.26,;10.17,-11.28,;8.85,-12.04,)|
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TBA

Assay Description
Inhibition of IDO1 in recombinant IFN-gamma induced mouse M109 cells incubated for 18 hrs by fluorescence microplate reader assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00014
BindingDB Entry DOI: 10.7270/Q24Q7ZP9
More data for this
Ligand-Target Pair
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