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] |
| 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 (null) |
| GtoPdb | - | - | 5.32 | pKi | 4810 | nM | Ki | J Med Chem (2013) 56: 8321-31 [PMID:24099220] |
| 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 (null) |
| 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 (null) |
| 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 (null) |
| 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 (null) |
| 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 | 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
