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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50011687   
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))
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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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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
3D
3D Structure (crystal)
Indoleamine 2,3-dioxygenase 1


(Homo sapiens (Human))
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 human HeLa 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)
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 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


(Homo sapiens (Human))
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 human HeLa 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)
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


(Homo sapiens (Human))
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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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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)
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


(Homo sapiens (Human))
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 human HeLa 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


(Homo sapiens (Human))
BDBM50550040
PNG
(CHEMBL4794508)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(8.99,-13.38,;9,-14.92,;7.67,-14.15,;6.33,-14.92,;6.34,-16.45,;7.67,-17.23,;9,-16.46,;5,-17.22,;3.67,-16.46,;2.34,-17.24,;2.35,-18.77,;3.68,-19.52,;3.67,-21.07,;5.01,-21.84,;6.35,-21.07,;7.68,-21.83,;6.34,-19.52,;5,-18.75,;10.34,-14.15,;10.34,-12.61,;11.67,-14.92,;11.67,-16.46,;13,-17.23,;13,-18.77,;14.33,-19.54,;15.66,-18.77,;17,-19.54,;15.66,-17.23,;14.33,-16.46,)|
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
BDBM50550034
PNG
(CHEMBL4757725)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1cccc(Cl)c1 |r,wU:4.7,18.21,wD:1.0,(10.18,-37.54,;10.19,-39.08,;8.86,-38.31,;7.52,-39.08,;7.53,-40.62,;8.86,-41.39,;10.19,-40.62,;6.19,-41.39,;4.86,-40.63,;3.53,-41.4,;3.54,-42.93,;4.87,-43.69,;4.86,-45.23,;6.2,-46,;7.54,-45.23,;8.87,-46,;7.53,-43.68,;6.19,-42.92,;11.53,-38.31,;11.53,-36.77,;12.86,-39.09,;12.86,-40.62,;11.52,-41.39,;14.19,-41.4,;14.19,-42.93,;15.52,-43.71,;16.85,-42.94,;16.85,-41.39,;18.18,-40.62,;15.52,-40.63,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
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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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


Citation and Details

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


(Homo sapiens (Human))
BDBM50550027
PNG
(CHEMBL4789681)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1cnc(OC)nc1 |r,wU:4.7,18.21,wD:1.0,(26.06,-2.33,;26.08,-3.87,;24.74,-3.1,;23.4,-3.86,;23.41,-5.4,;24.74,-6.17,;26.07,-5.41,;22.07,-6.17,;20.74,-5.41,;19.41,-6.19,;19.42,-7.71,;20.75,-8.47,;20.75,-10.01,;22.08,-10.78,;23.42,-10.01,;24.75,-10.78,;23.41,-8.46,;22.08,-7.7,;27.41,-3.1,;27.41,-1.56,;28.74,-3.87,;30.08,-3.1,;28.74,-5.41,;30.07,-6.18,;30.07,-7.72,;31.4,-8.49,;32.74,-7.72,;34.07,-8.49,;34.07,-10.03,;32.73,-6.17,;31.4,-5.41,)|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
BDBM50550029
PNG
(CHEMBL4740285)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(58.74,-36.76,;58.75,-38.3,;57.42,-37.53,;56.08,-38.3,;56.08,-39.83,;57.42,-40.6,;58.75,-39.84,;54.74,-40.6,;53.42,-39.84,;52.09,-40.62,;52.1,-42.15,;53.42,-42.9,;53.42,-44.45,;54.75,-45.22,;56.09,-44.44,;57.43,-45.21,;56.09,-42.89,;54.75,-42.13,;60.09,-37.53,;60.09,-35.99,;61.42,-38.3,;61.41,-39.84,;60.08,-40.6,;62.75,-40.61,;62.74,-42.15,;64.07,-42.92,;65.41,-42.15,;65.41,-40.6,;64.08,-39.84,)|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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 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


(Homo sapiens (Human))
BDBM50550031
PNG
(CHEMBL4796405)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccccc1Cl |r,wU:4.7,18.21,wD:1.0,(26.51,-37.19,;26.52,-38.73,;25.18,-37.96,;23.85,-38.73,;23.85,-40.27,;25.19,-41.04,;26.52,-40.27,;22.51,-41.04,;21.19,-40.28,;19.86,-41.05,;19.87,-42.58,;21.19,-43.34,;21.19,-44.88,;22.52,-45.65,;23.86,-44.88,;25.2,-45.65,;23.86,-43.33,;22.52,-42.57,;27.85,-37.96,;27.86,-36.42,;29.19,-38.74,;29.18,-40.27,;27.85,-41.04,;30.52,-41.05,;30.51,-42.58,;31.84,-43.36,;33.18,-42.59,;33.18,-41.04,;31.84,-40.28,;31.84,-38.74,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
BDBM50550039
PNG
(CHEMBL4757067)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)NC1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(60,-1.62,;60.01,-3.16,;58.68,-2.39,;57.34,-3.16,;57.34,-4.69,;58.68,-5.47,;60.01,-4.7,;56,-5.46,;54.68,-4.7,;53.35,-5.48,;53.36,-7.01,;54.68,-7.76,;54.68,-9.31,;56.01,-10.08,;57.35,-9.31,;58.69,-10.07,;57.35,-7.76,;56.01,-6.99,;61.35,-2.39,;61.35,-.85,;62.68,-3.16,;64.01,-2.39,;62.68,-4.7,;64.01,-5.47,;64,-7.01,;65.32,-7.78,;66.66,-7.02,;66.67,-5.48,;65.33,-4.7,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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)
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


(Homo sapiens (Human))
BDBM50550035
PNG
(CHEMBL4754556)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(10.43,-24.73,;10.44,-26.27,;9.11,-25.49,;7.77,-26.26,;7.78,-27.8,;9.11,-28.57,;10.44,-27.81,;6.44,-28.57,;5.11,-27.81,;3.78,-28.59,;3.79,-30.11,;5.12,-30.87,;5.11,-32.41,;6.45,-33.18,;7.78,-32.41,;9.12,-33.18,;7.78,-30.86,;6.44,-30.1,;11.78,-25.5,;11.78,-23.96,;13.11,-26.27,;13.11,-27.81,;11.77,-28.58,;14.44,-28.58,;14.44,-30.12,;13.1,-30.88,;13.1,-32.42,;14.43,-33.19,;14.43,-34.73,;15.77,-32.41,;15.77,-30.88,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
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/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550032
PNG
(CHEMBL4793928)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C12CCC(Cl)(CC1)CC2 |r,wU:4.7,18.21,wD:1.0,(41.72,-37.44,;41.74,-38.98,;40.4,-38.21,;39.06,-38.98,;39.07,-40.52,;40.41,-41.29,;41.73,-40.52,;37.73,-41.29,;36.4,-40.52,;35.07,-41.3,;35.09,-42.83,;36.41,-43.58,;36.41,-45.13,;37.74,-45.9,;39.08,-45.13,;40.41,-45.9,;39.07,-43.58,;37.74,-42.82,;43.07,-38.21,;43.08,-36.67,;44.41,-38.98,;44.4,-40.52,;43.06,-41.29,;45.74,-41.29,;45.73,-42.83,;47.06,-43.6,;48.4,-42.83,;49.73,-43.6,;48.4,-41.29,;47.06,-40.52,;47.67,-41.67,;46.82,-42.38,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
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 25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
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/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
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/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550040
PNG
(CHEMBL4794508)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(8.99,-13.38,;9,-14.92,;7.67,-14.15,;6.33,-14.92,;6.34,-16.45,;7.67,-17.23,;9,-16.46,;5,-17.22,;3.67,-16.46,;2.34,-17.24,;2.35,-18.77,;3.68,-19.52,;3.67,-21.07,;5.01,-21.84,;6.35,-21.07,;7.68,-21.83,;6.34,-19.52,;5,-18.75,;10.34,-14.15,;10.34,-12.61,;11.67,-14.92,;11.67,-16.46,;13,-17.23,;13,-18.77,;14.33,-19.54,;15.66,-18.77,;17,-19.54,;15.66,-17.23,;14.33,-16.46,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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)
BDBM50550034
PNG
(CHEMBL4757725)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1cccc(Cl)c1 |r,wU:4.7,18.21,wD:1.0,(10.18,-37.54,;10.19,-39.08,;8.86,-38.31,;7.52,-39.08,;7.53,-40.62,;8.86,-41.39,;10.19,-40.62,;6.19,-41.39,;4.86,-40.63,;3.53,-41.4,;3.54,-42.93,;4.87,-43.69,;4.86,-45.23,;6.2,-46,;7.54,-45.23,;8.87,-46,;7.53,-43.68,;6.19,-42.92,;11.53,-38.31,;11.53,-36.77,;12.86,-39.09,;12.86,-40.62,;11.52,-41.39,;14.19,-41.4,;14.19,-42.93,;15.52,-43.71,;16.85,-42.94,;16.85,-41.39,;18.18,-40.62,;15.52,-40.63,)|
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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)
BDBM50550032
PNG
(CHEMBL4793928)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C12CCC(Cl)(CC1)CC2 |r,wU:4.7,18.21,wD:1.0,(41.72,-37.44,;41.74,-38.98,;40.4,-38.21,;39.06,-38.98,;39.07,-40.52,;40.41,-41.29,;41.73,-40.52,;37.73,-41.29,;36.4,-40.52,;35.07,-41.3,;35.09,-42.83,;36.41,-43.58,;36.41,-45.13,;37.74,-45.9,;39.08,-45.13,;40.41,-45.9,;39.07,-43.58,;37.74,-42.82,;43.07,-38.21,;43.08,-36.67,;44.41,-38.98,;44.4,-40.52,;43.06,-41.29,;45.74,-41.29,;45.73,-42.83,;47.06,-43.6,;48.4,-42.83,;49.73,-43.6,;48.4,-41.29,;47.06,-40.52,;47.67,-41.67,;46.82,-42.38,)|
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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)
BDBM50550040
PNG
(CHEMBL4794508)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(8.99,-13.38,;9,-14.92,;7.67,-14.15,;6.33,-14.92,;6.34,-16.45,;7.67,-17.23,;9,-16.46,;5,-17.22,;3.67,-16.46,;2.34,-17.24,;2.35,-18.77,;3.68,-19.52,;3.67,-21.07,;5.01,-21.84,;6.35,-21.07,;7.68,-21.83,;6.34,-19.52,;5,-18.75,;10.34,-14.15,;10.34,-12.61,;11.67,-14.92,;11.67,-16.46,;13,-17.23,;13,-18.77,;14.33,-19.54,;15.66,-18.77,;17,-19.54,;15.66,-17.23,;14.33,-16.46,)|
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n/an/a 62n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50550042
PNG
(CHEMBL4758055)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 |r,wU:4.7,18.21,23.26,wD:1.0,(43.93,-1.54,;43.94,-3.08,;42.61,-2.31,;41.27,-3.08,;41.27,-4.62,;42.61,-5.39,;43.94,-4.62,;39.94,-5.39,;38.61,-4.62,;37.28,-5.4,;37.29,-6.93,;38.61,-7.68,;38.61,-9.23,;39.95,-10,;41.28,-9.23,;42.62,-10,;41.28,-7.68,;39.94,-6.92,;45.28,-2.31,;45.28,-.77,;46.61,-3.08,;47.94,-2.32,;46.61,-4.62,;47.94,-5.4,;49.27,-4.63,;47.94,-6.94,;46.6,-7.69,;46.6,-9.23,;47.93,-10.01,;47.93,-11.55,;49.27,-9.23,;49.27,-7.69,)|
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n/an/a 67n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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)
BDBM50550035
PNG
(CHEMBL4754556)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(10.43,-24.73,;10.44,-26.27,;9.11,-25.49,;7.77,-26.26,;7.78,-27.8,;9.11,-28.57,;10.44,-27.81,;6.44,-28.57,;5.11,-27.81,;3.78,-28.59,;3.79,-30.11,;5.12,-30.87,;5.11,-32.41,;6.45,-33.18,;7.78,-32.41,;9.12,-33.18,;7.78,-30.86,;6.44,-30.1,;11.78,-25.5,;11.78,-23.96,;13.11,-26.27,;13.11,-27.81,;11.77,-28.58,;14.44,-28.58,;14.44,-30.12,;13.1,-30.88,;13.1,-32.42,;14.43,-33.19,;14.43,-34.73,;15.77,-32.41,;15.77,-30.88,)|
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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


(Homo sapiens (Human))
BDBM50550027
PNG
(CHEMBL4789681)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1cnc(OC)nc1 |r,wU:4.7,18.21,wD:1.0,(26.06,-2.33,;26.08,-3.87,;24.74,-3.1,;23.4,-3.86,;23.41,-5.4,;24.74,-6.17,;26.07,-5.41,;22.07,-6.17,;20.74,-5.41,;19.41,-6.19,;19.42,-7.71,;20.75,-8.47,;20.75,-10.01,;22.08,-10.78,;23.42,-10.01,;24.75,-10.78,;23.41,-8.46,;22.08,-7.7,;27.41,-3.1,;27.41,-1.56,;28.74,-3.87,;30.08,-3.1,;28.74,-5.41,;30.07,-6.18,;30.07,-7.72,;31.4,-8.49,;32.74,-7.72,;34.07,-8.49,;34.07,-10.03,;32.73,-6.17,;31.4,-5.41,)|
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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)
BDBM50550029
PNG
(CHEMBL4740285)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(58.74,-36.76,;58.75,-38.3,;57.42,-37.53,;56.08,-38.3,;56.08,-39.83,;57.42,-40.6,;58.75,-39.84,;54.74,-40.6,;53.42,-39.84,;52.09,-40.62,;52.1,-42.15,;53.42,-42.9,;53.42,-44.45,;54.75,-45.22,;56.09,-44.44,;57.43,-45.21,;56.09,-42.89,;54.75,-42.13,;60.09,-37.53,;60.09,-35.99,;61.42,-38.3,;61.41,-39.84,;60.08,-40.6,;62.75,-40.61,;62.74,-42.15,;64.07,-42.92,;65.41,-42.15,;65.41,-40.6,;64.08,-39.84,)|
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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)
BDBM50550027
PNG
(CHEMBL4789681)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)Nc1cnc(OC)nc1 |r,wU:4.7,18.21,wD:1.0,(26.06,-2.33,;26.08,-3.87,;24.74,-3.1,;23.4,-3.86,;23.41,-5.4,;24.74,-6.17,;26.07,-5.41,;22.07,-6.17,;20.74,-5.41,;19.41,-6.19,;19.42,-7.71,;20.75,-8.47,;20.75,-10.01,;22.08,-10.78,;23.42,-10.01,;24.75,-10.78,;23.41,-8.46,;22.08,-7.7,;27.41,-3.1,;27.41,-1.56,;28.74,-3.87,;30.08,-3.1,;28.74,-5.41,;30.07,-6.18,;30.07,-7.72,;31.4,-8.49,;32.74,-7.72,;34.07,-8.49,;34.07,-10.03,;32.73,-6.17,;31.4,-5.41,)|
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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


(Homo sapiens (Human))
BDBM50550034
PNG
(CHEMBL4757725)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1cccc(Cl)c1 |r,wU:4.7,18.21,wD:1.0,(10.18,-37.54,;10.19,-39.08,;8.86,-38.31,;7.52,-39.08,;7.53,-40.62,;8.86,-41.39,;10.19,-40.62,;6.19,-41.39,;4.86,-40.63,;3.53,-41.4,;3.54,-42.93,;4.87,-43.69,;4.86,-45.23,;6.2,-46,;7.54,-45.23,;8.87,-46,;7.53,-43.68,;6.19,-42.92,;11.53,-38.31,;11.53,-36.77,;12.86,-39.09,;12.86,-40.62,;11.52,-41.39,;14.19,-41.4,;14.19,-42.93,;15.52,-43.71,;16.85,-42.94,;16.85,-41.39,;18.18,-40.62,;15.52,-40.63,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550036
PNG
(CHEMBL4759322)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(25.53,-24.45,;25.54,-25.99,;24.2,-25.22,;22.87,-25.99,;22.87,-27.53,;24.21,-28.3,;25.54,-27.53,;21.53,-28.3,;20.21,-27.54,;18.88,-28.31,;18.89,-29.84,;20.21,-30.6,;20.21,-32.14,;21.54,-32.91,;22.88,-32.14,;24.22,-32.91,;22.88,-30.59,;21.54,-29.83,;26.87,-25.23,;26.88,-23.69,;28.21,-26,;28.21,-27.54,;26.87,-28.31,;29.54,-28.31,;29.54,-29.85,;28.2,-30.61,;28.2,-32.15,;29.53,-32.92,;29.53,-34.46,;30.87,-32.14,;30.87,-30.61,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
BDBM50550031
PNG
(CHEMBL4796405)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccccc1Cl |r,wU:4.7,18.21,wD:1.0,(26.51,-37.19,;26.52,-38.73,;25.18,-37.96,;23.85,-38.73,;23.85,-40.27,;25.19,-41.04,;26.52,-40.27,;22.51,-41.04,;21.19,-40.28,;19.86,-41.05,;19.87,-42.58,;21.19,-43.34,;21.19,-44.88,;22.52,-45.65,;23.86,-44.88,;25.2,-45.65,;23.86,-43.33,;22.52,-42.57,;27.85,-37.96,;27.86,-36.42,;29.19,-38.74,;29.18,-40.27,;27.85,-41.04,;30.52,-41.05,;30.51,-42.58,;31.84,-43.36,;33.18,-42.59,;33.18,-41.04,;31.84,-40.28,;31.84,-38.74,)|
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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550033
PNG
(CHEMBL4791270)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(39.39,-24.34,;39.41,-25.88,;38.07,-25.11,;36.73,-25.88,;36.74,-27.41,;38.08,-28.18,;39.4,-27.42,;35.4,-28.18,;34.07,-27.42,;32.74,-28.2,;32.76,-29.72,;34.08,-30.48,;34.08,-32.03,;35.41,-32.8,;36.75,-32.02,;38.08,-32.79,;36.74,-30.47,;35.41,-29.71,;40.74,-25.11,;40.74,-23.57,;42.08,-25.88,;42.07,-27.42,;43.41,-28.19,;44.74,-27.42,;43.4,-29.73,;42.07,-30.49,;42.06,-32.03,;43.4,-32.8,;43.4,-34.34,;44.74,-32.03,;44.73,-30.49,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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)
BDBM50550031
PNG
(CHEMBL4796405)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccccc1Cl |r,wU:4.7,18.21,wD:1.0,(26.51,-37.19,;26.52,-38.73,;25.18,-37.96,;23.85,-38.73,;23.85,-40.27,;25.19,-41.04,;26.52,-40.27,;22.51,-41.04,;21.19,-40.28,;19.86,-41.05,;19.87,-42.58,;21.19,-43.34,;21.19,-44.88,;22.52,-45.65,;23.86,-44.88,;25.2,-45.65,;23.86,-43.33,;22.52,-42.57,;27.85,-37.96,;27.86,-36.42,;29.19,-38.74,;29.18,-40.27,;27.85,-41.04,;30.52,-41.05,;30.51,-42.58,;31.84,-43.36,;33.18,-42.59,;33.18,-41.04,;31.84,-40.28,;31.84,-38.74,)|
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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


(Homo sapiens (Human))
BDBM50550033
PNG
(CHEMBL4791270)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(39.39,-24.34,;39.41,-25.88,;38.07,-25.11,;36.73,-25.88,;36.74,-27.41,;38.08,-28.18,;39.4,-27.42,;35.4,-28.18,;34.07,-27.42,;32.74,-28.2,;32.76,-29.72,;34.08,-30.48,;34.08,-32.03,;35.41,-32.8,;36.75,-32.02,;38.08,-32.79,;36.74,-30.47,;35.41,-29.71,;40.74,-25.11,;40.74,-23.57,;42.08,-25.88,;42.07,-27.42,;43.41,-28.19,;44.74,-27.42,;43.4,-29.73,;42.07,-30.49,;42.06,-32.03,;43.4,-32.8,;43.4,-34.34,;44.74,-32.03,;44.73,-30.49,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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


(Homo sapiens (Human))
BDBM50550035
PNG
(CHEMBL4754556)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Nc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(10.43,-24.73,;10.44,-26.27,;9.11,-25.49,;7.77,-26.26,;7.78,-27.8,;9.11,-28.57,;10.44,-27.81,;6.44,-28.57,;5.11,-27.81,;3.78,-28.59,;3.79,-30.11,;5.12,-30.87,;5.11,-32.41,;6.45,-33.18,;7.78,-32.41,;9.12,-33.18,;7.78,-30.86,;6.44,-30.1,;11.78,-25.5,;11.78,-23.96,;13.11,-26.27,;13.11,-27.81,;11.77,-28.58,;14.44,-28.58,;14.44,-30.12,;13.1,-30.88,;13.1,-32.42,;14.43,-33.19,;14.43,-34.73,;15.77,-32.41,;15.77,-30.88,)|
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TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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)
BDBM50550039
PNG
(CHEMBL4757067)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)NC1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(60,-1.62,;60.01,-3.16,;58.68,-2.39,;57.34,-3.16,;57.34,-4.69,;58.68,-5.47,;60.01,-4.7,;56,-5.46,;54.68,-4.7,;53.35,-5.48,;53.36,-7.01,;54.68,-7.76,;54.68,-9.31,;56.01,-10.08,;57.35,-9.31,;58.69,-10.07,;57.35,-7.76,;56.01,-6.99,;61.35,-2.39,;61.35,-.85,;62.68,-3.16,;64.01,-2.39,;62.68,-4.7,;64.01,-5.47,;64,-7.01,;65.32,-7.78,;66.66,-7.02,;66.67,-5.48,;65.33,-4.7,)|
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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


(Homo sapiens (Human))
BDBM50550029
PNG
(CHEMBL4740285)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(58.74,-36.76,;58.75,-38.3,;57.42,-37.53,;56.08,-38.3,;56.08,-39.83,;57.42,-40.6,;58.75,-39.84,;54.74,-40.6,;53.42,-39.84,;52.09,-40.62,;52.1,-42.15,;53.42,-42.9,;53.42,-44.45,;54.75,-45.22,;56.09,-44.44,;57.43,-45.21,;56.09,-42.89,;54.75,-42.13,;60.09,-37.53,;60.09,-35.99,;61.42,-38.3,;61.41,-39.84,;60.08,-40.6,;62.75,-40.61,;62.74,-42.15,;64.07,-42.92,;65.41,-42.15,;65.41,-40.6,;64.08,-39.84,)|
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n/an/a 294n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550039
PNG
(CHEMBL4757067)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)NC1CCCCC1 |r,wU:4.7,18.21,wD:1.0,(60,-1.62,;60.01,-3.16,;58.68,-2.39,;57.34,-3.16,;57.34,-4.69,;58.68,-5.47,;60.01,-4.7,;56,-5.46,;54.68,-4.7,;53.35,-5.48,;53.36,-7.01,;54.68,-7.76,;54.68,-9.31,;56.01,-10.08,;57.35,-9.31,;58.69,-10.07,;57.35,-7.76,;56.01,-6.99,;61.35,-2.39,;61.35,-.85,;62.68,-3.16,;64.01,-2.39,;62.68,-4.7,;64.01,-5.47,;64,-7.01,;65.32,-7.78,;66.66,-7.02,;66.67,-5.48,;65.33,-4.7,)|
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n/an/a 470n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550038
PNG
(CHEMBL4752360)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(59.87,-12.84,;59.89,-14.38,;58.55,-13.61,;57.21,-14.38,;57.22,-15.92,;58.56,-16.69,;59.88,-15.92,;55.88,-16.69,;54.55,-15.92,;53.23,-16.7,;53.24,-18.23,;54.56,-18.99,;54.56,-20.53,;55.89,-21.3,;57.23,-20.53,;58.56,-21.3,;57.22,-18.98,;55.89,-18.22,;61.22,-13.61,;61.23,-12.07,;62.56,-14.39,;62.55,-15.92,;61.77,-17.25,;61.01,-15.91,;63.89,-16.7,;63.88,-18.23,;65.21,-19.01,;66.55,-18.24,;67.88,-19.01,;66.55,-16.69,;65.21,-15.92,)|
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n/an/a 484n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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


(Homo sapiens (Human))
BDBM50550032
PNG
(CHEMBL4793928)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)C12CCC(Cl)(CC1)CC2 |r,wU:4.7,18.21,wD:1.0,(41.72,-37.44,;41.74,-38.98,;40.4,-38.21,;39.06,-38.98,;39.07,-40.52,;40.41,-41.29,;41.73,-40.52,;37.73,-41.29,;36.4,-40.52,;35.07,-41.3,;35.09,-42.83,;36.41,-43.58,;36.41,-45.13,;37.74,-45.9,;39.08,-45.13,;40.41,-45.9,;39.07,-43.58,;37.74,-42.82,;43.07,-38.21,;43.08,-36.67,;44.41,-38.98,;44.4,-40.52,;43.06,-41.29,;45.74,-41.29,;45.73,-42.83,;47.06,-43.6,;48.4,-42.83,;49.73,-43.6,;48.4,-41.29,;47.06,-40.52,;47.67,-41.67,;46.82,-42.38,)|
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n/an/a 579n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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)
BDBM50550036
PNG
(CHEMBL4759322)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(25.53,-24.45,;25.54,-25.99,;24.2,-25.22,;22.87,-25.99,;22.87,-27.53,;24.21,-28.3,;25.54,-27.53,;21.53,-28.3,;20.21,-27.54,;18.88,-28.31,;18.89,-29.84,;20.21,-30.6,;20.21,-32.14,;21.54,-32.91,;22.88,-32.14,;24.22,-32.91,;22.88,-30.59,;21.54,-29.83,;26.87,-25.23,;26.88,-23.69,;28.21,-26,;28.21,-27.54,;26.87,-28.31,;29.54,-28.31,;29.54,-29.85,;28.2,-30.61,;28.2,-32.15,;29.53,-32.92,;29.53,-34.46,;30.87,-32.14,;30.87,-30.61,)|
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n/an/a 651n/an/an/an/an/an/a


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
Cytochrome P450 2C9


(Homo sapiens (Human))
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 740n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CYP2C9


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


(Homo sapiens (Human))
BDBM50550041
PNG
(CHEMBL4791151)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NCc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(25.58,-13.32,;25.59,-14.86,;24.26,-14.08,;22.92,-14.85,;22.93,-16.39,;24.26,-17.16,;25.59,-16.4,;21.59,-17.16,;20.26,-16.4,;18.93,-17.18,;18.94,-18.7,;20.27,-19.46,;20.26,-21,;21.6,-21.77,;22.94,-21,;24.27,-21.77,;22.93,-19.45,;21.59,-18.69,;26.93,-14.09,;26.93,-12.55,;28.26,-14.86,;28.26,-16.4,;29.59,-17.17,;29.59,-18.71,;30.92,-19.48,;32.25,-18.71,;33.59,-19.48,;32.25,-17.16,;30.92,-16.4,)|
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n/an/a 745n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma-stimulated human HeLa 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)
BDBM50550033
PNG
(CHEMBL4791270)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)CNC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(39.39,-24.34,;39.41,-25.88,;38.07,-25.11,;36.73,-25.88,;36.74,-27.41,;38.08,-28.18,;39.4,-27.42,;35.4,-28.18,;34.07,-27.42,;32.74,-28.2,;32.76,-29.72,;34.08,-30.48,;34.08,-32.03,;35.41,-32.8,;36.75,-32.02,;38.08,-32.79,;36.74,-30.47,;35.41,-29.71,;40.74,-25.11,;40.74,-23.57,;42.08,-25.88,;42.07,-27.42,;43.41,-28.19,;44.74,-27.42,;43.4,-29.73,;42.07,-30.49,;42.06,-32.03,;43.4,-32.8,;43.4,-34.34,;44.74,-32.03,;44.73,-30.49,)|
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n/an/a 772n/an/an/an/an/an/a


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


(Homo sapiens (Human))
BDBM50550036
PNG
(CHEMBL4759322)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(25.53,-24.45,;25.54,-25.99,;24.2,-25.22,;22.87,-25.99,;22.87,-27.53,;24.21,-28.3,;25.54,-27.53,;21.53,-28.3,;20.21,-27.54,;18.88,-28.31,;18.89,-29.84,;20.21,-30.6,;20.21,-32.14,;21.54,-32.91,;22.88,-32.14,;24.22,-32.91,;22.88,-30.59,;21.54,-29.83,;26.87,-25.23,;26.88,-23.69,;28.21,-26,;28.21,-27.54,;26.87,-28.31,;29.54,-28.31,;29.54,-29.85,;28.2,-30.61,;28.2,-32.15,;29.53,-32.92,;29.53,-34.46,;30.87,-32.14,;30.87,-30.61,)|
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n/an/a 779n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO1 in IFNgamma/LPS-stimulated human whole blood preincubated for 4 hrs followed by IFNgamma/LPS stimulation and incubated for 18 hrs ...


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)
BDBM50550042
PNG
(CHEMBL4758055)
Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 |r,wU:4.7,18.21,23.26,wD:1.0,(43.93,-1.54,;43.94,-3.08,;42.61,-2.31,;41.27,-3.08,;41.27,-4.62,;42.61,-5.39,;43.94,-4.62,;39.94,-5.39,;38.61,-4.62,;37.28,-5.4,;37.29,-6.93,;38.61,-7.68,;38.61,-9.23,;39.95,-10,;41.28,-9.23,;42.62,-10,;41.28,-7.68,;39.94,-6.92,;45.28,-2.31,;45.28,-.77,;46.61,-3.08,;47.94,-2.32,;46.61,-4.62,;47.94,-5.4,;49.27,-4.63,;47.94,-6.94,;46.6,-7.69,;46.6,-9.23,;47.93,-10.01,;47.93,-11.55,;49.27,-9.23,;49.27,-7.69,)|
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n/an/a 870n/an/an/an/an/an/a


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
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