tryptanthrin 5i [Ligand Id: 10126] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL432537 (GNF-Pf-3777)
  • indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
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  • indoleamine 2,3-dioxygenase 2/Indoleamine 2,3-dioxygenase 2 in Human [ChEMBL: CHEMBL3627587] [GtoPdb: 3019] [UniProtKB: Q6ZQW0]
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  • tryptophan 2,3-dioxygenase/Tryptophan 2,3-dioxygenase in Human [ChEMBL: CHEMBL2140] [GtoPdb: 2887] [UniProtKB: P48775]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
ChEMBL Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate B 7.27 pKi 54 nM Ki J. Med. Chem. (2013) 56: 8321-8331 [PMID:24099220]
ChEMBL Uncompetitive inhibition of IDO1 (unknown origin) using L-tryptophan as substrate incubated for 30 min assessed as reduction in conversion of N-formyl kynurenine to kynurenine by dixon plot analysis B 7.27 pKi 54 nM Ki WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (null)
GtoPdb - - 7.27 pKi 54 nM Ki Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Inhibition of IDO1 in human U87MG cells in presence of L-tryptophan incubated for 24 h B 4.74 pIC50 18000 nM IC50 WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (null)
ChEMBL Uncompetitive inhibition of human recombinant IDO1 using L-tryptophan as substrate B 6.99 pIC50 103 nM IC50 J. Med. Chem. (2013) 56: 8321-8331 [PMID:24099220]
ChEMBL Inhibition of IDO1 (unknown origin) using L-tryptophan as substrate assessed as reduction in conversion of N-formyl kynurenine to kynurenine B 6.99 pIC50 103 nM IC50 WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (null)
GtoPdb - - 6.99 pIC50 103 nM IC50 Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry B 10.74 pIC50 0.02 nM IC50 J. Med. Chem. (2013) 56: 8321-8331 [PMID:24099220]
indoleamine 2,3-dioxygenase 2/Indoleamine 2,3-dioxygenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3627587] [GtoPdb: 3019] [UniProtKB: Q6ZQW0]
GtoPdb - - 6.01 pKi 970 nM Ki Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Uncompetitive inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) in presence of varying concentration of L-tryptophan substrate after 30 mins B 6.01 pKi 970 nM Ki Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Uncompetitive inhibition of human IDO2 using L-tryptophan as substrate incubated for 30 min assessed as reduction in conversion of N-formyl kynurenine to kynurenine by dixon plot analysis B 6.01 pKi 970 nM Ki WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (null)
ChEMBL Inhibition of human IDO2 using L-tryptophan as substrate assessed as reduction in conversion of N-formyl kynurenine to kynurenine B 5.73 pIC50 1870 nM IC50 WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (null)
GtoPdb Inhibition of enzymatic activity of recombinant human IDO2. - 5.74 pIC50 1800 nM IC50 Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Inhibition of recombinant human C-terminal His6-tagged IDO2 (14-420 residues) expressed in Escherichia coli BL21(DE3) assessed as reduction in L-kynurenine formation using L-tryptophan as substrate after 30 mins in presence of catalase by methylene blue dye based assay B 5.74 pIC50 1800 nM IC50 Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Inhibition of recombinant human IDO2 expressed in human U87MG cells assessed as reduction in kynurenine formation using L-tryptophan as substrate after 6 hrs by spectrophotometry B 6.35 pIC50 450 nM IC50 Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
GtoPdb Inhibition of enzyme activity when hIDO2 is expressed in U87 human glioblastoma cells. - 6.35 pIC50 450 nM IC50 Eur J Med Chem (2016) 123: 171-179 [PMID:27475108]
ChEMBL Inhibition of IDO2 (unknown origin) expressed in human U87MG cells in presence of L-tryptophan incubated for 24 h B 6.35 pIC50 446 nM IC50 WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (null)
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay F 6.83 pEC50 148.5 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay F 7 pEC50 100.5 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2008) 105: 9059-9064 [PMID:18579783]
tryptophan 2,3-dioxygenase/Tryptophan 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2140] [GtoPdb: 2887] [UniProtKB: P48775]
ChEMBL Uncompetitive inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins by Dixon plot analysis B 6.67 pKi 215 nM Ki Eur J Med Chem (2018) 160: 133-145 [PMID:30321802]
ChEMBL Inhibition of recombinant full length C-terminal His-tagged human TDO expressed in Escherichia coli using L-Trp as substrate after 30 mins B 7 pIC50 101 nM IC50 Eur J Med Chem (2018) 160: 133-145 [PMID:30321802]
ChEMBL Inhibition of TDO (unknown origin) expressed in HEK293 cells using L-Trp as substrate after 8 hrs B 7.21 pIC50 61 nM IC50 Eur J Med Chem (2018) 160: 133-145 [PMID:30321802]
ChEMBL Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrs B 7.4 pIC50 40 nM IC50 Eur J Med Chem (2018) 160: 133-145 [PMID:30321802]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]