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Compile Data Set for Download or QSAR

Found 133 hits of ic50 data for polymerid = 50006244,50006988   
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 2


(Homo sapiens (Human))		BDBM50606909
PNG
(CHEMBL5219888)
Show SMILES O\N=C(/NCc1cccc(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1
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n/an/a 112n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50606907
PNG
(CHEMBL5220224)
Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccc[nH]2)nn1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587578
PNG
(CHEMBL5091825)
Show SMILES OCCOCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587578
PNG
(CHEMBL5091825)
Show SMILES OCCOCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50528763
PNG
(CHEMBL4472697)
Show SMILES CCOP(=O)(CC)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C15H21BrFN6O4P/c1-3-26-28(25,4-2)19-8-7-18-14-13(22-27-23-14)15(21-24)20-10-5-6-12(17)11(16)9-10/h5-6,9,24H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,21)
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Nanjing Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human IDO2 expressed in Escherichia coli expression system

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111629
BindingDB Entry DOI: 10.7270/Q2BZ69GN
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50562506
PNG
(CHEMBL4791168)
Show SMILES COP(C)(=O)NCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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Assay Description
Inhibition of N-terminal 6His-tagged recombinant human IDO2 (15 to 420 residues) expressed in Escherichia coli using L-Trp as substrate by UV absorba...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00925
BindingDB Entry DOI: 10.7270/Q28D010N
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587572
PNG
(CHEMBL5085580)
Show SMILES CC(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50606906
PNG
(CHEMBL5221035)
Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 450n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50528779
PNG
(CHEMBL4514196)
Show SMILES COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C13H17BrFN6O4P/c1-24-26(2,23)17-6-5-16-12-11(20-25-21-12)13(19-22)18-8-3-4-10(15)9(14)7-8/h3-4,7,22H,5-6H2,1-2H3,(H,16,21)(H,17,23)(H,18,19)
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Nanjing Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human IDO2 expressed in Escherichia coli expression system

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111629
BindingDB Entry DOI: 10.7270/Q2BZ69GN
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50606908
PNG
(CHEMBL5221037)
Show SMILES O\N=C(/Nc1cccc(Br)c1)c1nonc1NCCn1cc(CNC(=O)c2ccccn2)nn1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50528780
PNG
(CHEMBL4436582)
Show SMILES COP(C)(=O)NCCCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C15H21BrFN6O4P/c1-26-28(2,25)19-8-4-3-7-18-14-13(22-27-23-14)15(21-24)20-10-5-6-12(17)11(16)9-10/h5-6,9,24H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,21)
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Nanjing Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human IDO2 expressed in Escherichia coli expression system

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111629
BindingDB Entry DOI: 10.7270/Q2BZ69GN
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587576
PNG
(CHEMBL5082481)
Show SMILES CC(C)CC(C)(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 689n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50126143
PNG
(Epacadostat | INCB-024360)
Show SMILES NS(=O)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
Show InChI InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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Nanjing Medical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human IDO2 expressed in Escherichia coli expression system

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111629
BindingDB Entry DOI: 10.7270/Q2BZ69GN
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587574
PNG
(CHEMBL5090441)
Show SMILES CC(C)(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587566
PNG
(CHEMBL5092513)
Show SMILES OCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587567
PNG
(CHEMBL5091241)
Show SMILES CCCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587577
PNG
(CHEMBL5091415)
Show SMILES O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCn1cc(nn1)C1(O)CCCCC1
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n/an/a 865n/an/an/an/an/an/a


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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587579
PNG
(CHEMBL5091243)
Show SMILES CC(OCCO)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587573
PNG
(CHEMBL5091590)
Show SMILES CCC(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 947n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587570
PNG
(CHEMBL5093816)
Show SMILES OCCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 958n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587575
PNG
(CHEMBL5084150)
Show SMILES CCC(C)(O)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 958n/an/an/an/an/an/a


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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM387356
PNG
(N3-(3-Chloro- 4-fluorophenyl) furo[2,3- c]pyridine...)
Show SMILES Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H9ClFN3O/c14-9-5-7(1-2-10(9)15)18-12-8-3-4-17-6-11(8)19-13(12)16/h1-6,18H,16H2
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Medical University of South Carolina



Assay Description
Human indoleamine 2,3-dioxygenase-2 (hIDO2) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formy...

J Med Chem 52: 74-86 (2009)


BindingDB Entry DOI: 10.7270/Q24M96V5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM387592
PNG
(N3-(3,4- difluoro- phenyl)-7- (pyridin-4- yl)furo[...)
Show SMILES Nc1oc2c(nccc2c1Nc1ccc(F)c(F)c1)-c1ccncc1
Show InChI InChI=1S/C18H12F2N4O/c19-13-2-1-11(9-14(13)20)24-16-12-5-8-23-15(17(12)25-18(16)21)10-3-6-22-7-4-10/h1-9,24H,21H2
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n/an/a<1.00E+3n/an/an/an/an/an/a



Medical University of South Carolina



Assay Description
Human indoleamine 2,3-dioxygenase-2 (hIDO2) catalyzes the oxidative cleavage of the pyrrole ring of the indole nucleus of tryptophan to yield N-formy...

J Med Chem 52: 74-86 (2009)


BindingDB Entry DOI: 10.7270/Q24M96V5
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587571
PNG
(CHEMBL5078912)
Show SMILES OCCCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 1.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587580
PNG
(CHEMBL5088729)
Show SMILES CC(C)(OCCO)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587569
PNG
(CHEMBL5078101)
Show SMILES OCCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 1.17E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM50402289
PNG
(TENATOPRAZOLE)
Show SMILES COc1ccc2[nH]c(nc2n1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50442991
PNG
(CHEMBL432537 | GNF-Pf-3777 | US10669273, Compound ...)
Show SMILES [O-][N+](=O)c1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7N3O4/c19-13-10-7-8(18(21)22)5-6-12(10)17-14(13)16-11-4-2-1-3-9(11)15(17)20/h1-7H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50402289
PNG
(TENATOPRAZOLE)
Show SMILES COc1ccc2[nH]c(nc2n1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00263
BindingDB Entry DOI: 10.7270/Q2280CQZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50587568
PNG
(CHEMBL5084767)
Show SMILES CC(C)(C)c1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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n/an/a 1.87E+3n/an/an/an/an/an/a


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Assay Description
Inhibition of IDO2 (unknown origin) assessed as reduction in kynurenine formation using L-tryptophan as substrate by methylene blue reagent based ass...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01305
BindingDB Entry DOI: 10.7270/Q2M90DJF
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 3.20E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514040
PNG
(CHEMBL4436480)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(CN4CCNCC4)cc3c(=O)n-21
Show InChI InChI=1S/C20H17FN4O2/c21-13-2-4-17-15(10-13)18(26)19-23-16-3-1-12(9-14(16)20(27)25(17)19)11-24-7-5-22-6-8-24/h1-4,9-10,22H,5-8,11H2
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n/an/a 3.58E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO2 transfected in human U87MG cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated wi...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514041
PNG
(CHEMBL4452150)
Show SMILES CN(C)Cc1ccc2nc3C(=O)c4cc(F)ccc4-n3c(=O)c2c1
Show InChI InChI=1S/C18H14FN3O2/c1-21(2)9-10-3-5-14-12(7-10)18(24)22-15-6-4-11(19)8-13(15)16(23)17(22)20-14/h3-8H,9H2,1-2H3
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n/an/a 3.81E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO2 transfected in human U87MG cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated wi...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 4.50E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50240612
PNG
(CHEMBL306946 | GNF-PF-2691 | Indolo[2,1-b]quinazol...)
Show SMILES O=C1c2ccccc2-n2c1nc1ccccc1c2=O
Show InChI InChI=1S/C15H8N2O2/c18-13-10-6-2-4-8-12(10)17-14(13)16-11-7-3-1-5-9(11)15(17)19/h1-8H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 5.90E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/a 6.70E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 7.60E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM48009
PNG
(8-fluoranylindolo[2,1-b]quinazoline-6,12-dione | 8...)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 7.60E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM50507277
PNG
(CHEMBL4578334)
Show SMILES Cl.NOC(c1ccccc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C13H11Cl2NO.ClH/c14-10-6-7-11(12(15)8-10)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
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n/an/a 7.68E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO2 expressed in human T-REx cells using L-tryptophan as substrate after 20 hrs

Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50514038
PNG
(CHEMBL4577825)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc3nc4C(=O)c5cc(F)ccc5-n4c(=O)c3c2)CC1
Show InChI InChI=1S/C25H25FN4O4/c1-25(2,3)34-24(33)29-10-8-28(9-11-29)14-15-4-6-19-17(12-15)23(32)30-20-7-5-16(26)13-18(20)21(31)22(30)27-19/h4-7,12-13H,8-11,14H2,1-3H3
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n/an/a 8.05E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human IDO2 transfected in human U87MG cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated wi...

J Med Chem 62: 9161-9174 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01079
BindingDB Entry DOI: 10.7270/Q27W6GJ0
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM47032
PNG
(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl...)
Show SMILES Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
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n/an/a 8.20E+3n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotom...

Bioorg Med Chem Lett 22: 7641-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.010
BindingDB Entry DOI: 10.7270/Q20G3M92
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50442988
PNG
(CHEMBL3087009)
Show SMILES Fc1ccc-2c(c1)C(=O)c1nc3ccc(F)cc3c(=O)n-21
Show InChI InChI=1S/C15H6F2N2O2/c16-7-1-3-11-9(5-7)15(21)19-12-4-2-8(17)6-10(12)13(20)14(19)18-11/h1-6H
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n/an/a 8.20E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate aft...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Homo sapiens (Human))		BDBM50442987
PNG
(8-Bromotryptanthrin | CHEMBL72165)
Show SMILES Brc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
Show InChI InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H
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n/an/a 8.30E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynu...

Eur J Med Chem 123: 171-179 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.013
BindingDB Entry DOI: 10.7270/Q2M90BNZ
More data for this
Ligand-Target Pair
Indoleamine 2,3-dioxygenase 2


(Mus musculus)		BDBM50507288
PNG
(CHEMBL4473408)
Show SMILES Cl.NOC(c1ccccc1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H11Cl2NO.ClH/c14-11-6-10(7-12(15)8-11)13(17-16)9-4-2-1-3-5-9;/h1-8,13H,16H2;1H
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UniChem
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n/an/a 8.66E+3n/an/an/an/an/an/a



Bryn Mawr College

Curated by ChEMBL


Assay Description
Inhibition of mouse IDO2 expressed in human T-REx cells using L-tryptophan as substrate after 20 hrs

Eur J Med Chem 162: 455-464 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.010
BindingDB Entry DOI: 10.7270/Q2959MV6
More data for this
Ligand-Target Pair
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