tryptanthrin [Ligand Id: 8224] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL306946 (GNF-Pf-2691, TCMDC-125859) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
| ChEMBL | Inhibition of 5-lipoxygenase | B | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem (2012) 20: 4962-4967 [PMID:22819942] |
| mitogen-activated protein kinase 8/c-Jun N-terminal kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2276] [GtoPdb: 1496] [UniProtKB: P45983] | ||||||||
| ChEMBL | Binding affinity to human full-length JNK1 (M1 to Q384 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method | B | 4.64 | pKd | 23000 | nM | Kd | Eur J Med Chem (2019) 161: 179-191 [PMID:30347329] |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of COX2 | B | 7.19 | pIC50 | 64 | nM | IC50 | J Nat Prod (2005) 68: 985-991 [PMID:16038536] |
| ChEMBL | Inhibition of COX2 | B | 7.19 | pIC50 | 64 | nM | IC50 | Bioorg Med Chem (2012) 20: 4962-4967 [PMID:22819942] |
| ChEMBL | Inhibition of COX2 in lipopolysaccharide-stimulated human MONO-MAC-6 cells | B | 7.19 | pIC50 | 64 | nM | IC50 | Bioorg Med Chem (2012) 20: 7119-7127 [PMID:23146282] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate | B | 5.48 | pIC50 | 3286 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902] | ||||||||
| ChEMBL | Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate | B | 5.32 | pKi | 4810 | nM | Ki | J Med Chem (2013) 56: 8321-8331 [PMID:24099220] |
| ChEMBL | Mixed competitive 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 | 5.32 | pKi | 4810 | nM | Ki | WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (2017) |
| GtoPdb | - | - | 5.32 | pKi | 4810 | nM | Ki | J Med Chem (2013) 56: 8321-31 [PMID:24099220] |
| ChEMBL | Inhibition of IDO1 in human U87MG cells in presence of L-tryptophan incubated for 24 h | B | 1.27 | pIC50 | 53700000 | nM | IC50 | WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (2017) |
| ChEMBL | Mixed competitive inhibition of human recombinant IDO1 using L-tryptophan as substrate | B | 5.15 | pIC50 | 7150 | 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 | 5.15 | pIC50 | 7150 | nM | IC50 | WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (2017) |
| ChEMBL | Inhibition of human IDO1 expressed in HEK293 cells assessed as kynurenine release after 5 hrs by spectrophotometry | B | 7.27 | pIC50 | 53.7 | 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] | ||||||||
| 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 | 4.82 | pKi | 15200 | 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 | 4.82 | pKi | 15180 | 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 | 4.76 | pIC50 | 17310 | nM | IC50 | WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (2017) |
| 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 | 4.76 | pIC50 | 17300 | 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 | 5.3 | pIC50 | 5010 | nM | IC50 | WO-2017114260-A1. Uses of tryptanthrin and derivative thereof in preparing hldo2 inhibitor (2017) |
| 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 | 5.3 | pIC50 | 5000 | nM | IC50 | Eur J Med Chem (2016) 123: 171-179 [PMID:27475108] |
| neurotrophic receptor tyrosine kinase 1/Nerve growth factor receptor Trk-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2815] [GtoPdb: 1817] [UniProtKB: P04629] | ||||||||
| ChEMBL | Binding affinity to human partial length TRKA (G475 to G790 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method | B | 5.04 | pKd | 9200 | nM | Kd | Eur J Med Chem (2019) 161: 179-191 [PMID:30347329] |
| neurotrophic receptor tyrosine kinase 2/Neurotrophic tyrosine kinase receptor type 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4898] [GtoPdb: 1818] [UniProtKB: Q16620] | ||||||||
| ChEMBL | Binding affinity to human partial length TRKB (Q547 to G838 residues) expressed in HEK293 cells measured after 1 hr by Kinomescan method | B | 5.14 | pKd | 7200 | nM | Kd | Eur J Med Chem (2019) 161: 179-191 [PMID:30347329] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum NF54 assessed as growth inhibition | F | 6.54 | pIC50 | 288 | nM | IC50 | Eur J Med Chem (2021) 218: 113400-113400 [PMID:33823394] |
| ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum DD2 assessed as growth inhibition | F | 6.94 | pIC50 | 114 | nM | IC50 | Eur J Med Chem (2021) 218: 113400-113400 [PMID:33823394] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | F | 6.56 | pEC50 | 275.6 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
| ChEMBL | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | F | 6.67 | pEC50 | 211.7 | nM | EC50 | Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783] |
| Plasmodium yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612889] | ||||||||
| ChEMBL | NOVARTIS: Antimalarial liver stage activity measured as reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells by immuno-fluorescence, and median schizont size at 10uM compound concentration | F | 6.65 | pIC50 | 225.1 | nM | IC50 | Science (2011) 334: 1372-1377 [PMID:22096101] |
| 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 | 6.24 | pKi | 581 | 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 | 5.4 | pIC50 | 3940 | nM | IC50 | Eur J Med Chem (2018) 160: 133-145 [PMID:30321802] |
| ChEMBL | Inhibition of TDO (unknown origin) | B | 6.05 | pIC50 | 900 | nM | IC50 | Bioorg Med Chem (2019) 27: 1087-1098 [PMID:30773421] |
| ChEMBL | Inhibition of TDO in human U87 MG cells using L-Trp as substrate after 8 hrs | B | 6.71 | pIC50 | 194 | 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 | 6.85 | pIC50 | 140 | 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]
