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 (2017)
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 (2017)
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 (2017)
ChEMBL Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction in N-formyl kynurenine formation by UV-visible spectroscopic analysis B 6.99 pIC50 103 nM IC50 Bioorg Med Chem Lett (2023) 96: 129532-129532 [PMID:37866714]
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 (2017)
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 (2017)
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 IDO2 (unknown origin) B 5.74 pIC50 1800 nM IC50 J Med Chem (2022) 65: 14348-14365 [PMID:35952367]
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 (2017)
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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]