navoximod [Ligand Id: 9019] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3629569
  • indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
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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 Binding affinity to NT647 dye labeled recombinant human IDO1 (1 to 403 residues) by microscale thermophoresis method B 5.48 pKd 3300 nM Kd Eur J Med Chem (2017) 141: 169-177 [PMID:29031064]
ChEMBL Inhibition of IDO1 (unknown origin) by in-vitro assay B 8.14 pKi 7.2 nM Ki Eur J Med Chem (2017) 140: 293-304 [PMID:28963992]
ChEMBL Inhibition of IDO1 (unknown origin) B 8.15 pKi 7 nM Ki Medchemcomm (2017) 8: 1378-1392 [PMID:30108849]
GtoPdb - - 8.24 pKi 5.8 nM Ki J Med Chem (2019) 62: 6705-6733 [PMID:31264862]
ChEMBL Inhibition of recombinant human IDO1 assessed as L-kynurenine release preincubated for 5 mins followed by addition of L-tryptophan for 15 mins by spectrophotometer B 6 pIC50 <1000 nM IC50 Medchemcomm (2016) 7: 409-419
ChEMBL Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition measured after 15 mins by spectrophotometric analysis B 6 pIC50 <1000 nM IC50 J Med Chem (2015) 58: 9421-9437 [PMID:25970480]
ChEMBL Inhibition of human IDO1 B 6 pIC50 <1000 nM IC50 J Med Chem (2015) 58: 8762-8782 [PMID:26207924]
ChEMBL Inhibition of full length recombinant human His-tagged IDO1 expressed in mouse LLTC cells using L-tryptophan as substrate after 24 hrs B 6.23 pIC50 590 nM IC50 Eur J Med Chem (2017) 126: 983-996 [PMID:28011425]
ChEMBL Inhibition of IFNgamma-induced IDO1 in human HeLa cells using L-tryptophan as substrate after 24 hrs B 6.39 pIC50 410 nM IC50 Eur J Med Chem (2017) 138: 199-211 [PMID:28667875]
ChEMBL Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reduction in kynurenine production using L-tryptophan as substrate incubated for 24 hrs B 6.72 pIC50 190 nM IC50 Eur J Med Chem (2019) 184: 111750-111750 [PMID:31610376]
ChEMBL Inhibition of recombinant human IDO1 S167A mutant expressed in Escherichia coli SG13009(pREP4) using L-Tryptophan as substrate after 25 mins by fluorescence assay B 6.89 pIC50 130 nM IC50 Eur J Med Chem (2017) 126: 983-996 [PMID:28011425]
ChEMBL Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based concurrent assay B 6.96 pIC50 110 nM IC50 Bioorg Med Chem (2021) 39: 116160-116160 [PMID:33901770]
ChEMBL Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based assay B 7.1 pIC50 80 nM IC50 Bioorg Med Chem (2021) 39: 116160-116160 [PMID:33901770]
ChEMBL Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated for 5 mins followed by substrate addition and measured after 15 mins by spectrophotometric method B 7.22 pIC50 60 nM IC50 J Med Chem (2019) 62: 6705-6733 [PMID:31264862]
ChEMBL Inhibition of recombinant human IDO1 expressed in bacterial expression system using L-Tryptophan as substrate after 25 mins in absence of GSH and presence of tween20 by fluorescence assay B 7.22 pIC50 60 nM IC50 Eur J Med Chem (2017) 126: 983-996 [PMID:28011425]
ChEMBL Inhibition of recombinant human IDO1 assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 45 mins by methylene blue reagent based assay B 7.3 pIC50 50 nM IC50 Bioorg Med Chem (2021) 39: 116160-116160 [PMID:33901770]
ChEMBL Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenine to kynurenine incubated for 1 hr by fluorescence analysis B 7.42 pIC50 38 nM IC50 J Med Chem (2016) 59: 282-293 [PMID:26642377]
ChEMBL Inhibition of IDO1 (unknown origin) B 7.55 pIC50 28 nM IC50 Medchemcomm (2016) 7: 409-419
ChEMBL Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as reduction in kynurenine level measured after 16 hrs B 7.08 pEC50 83 nM EC50 J Med Chem (2019) 62: 6705-6733 [PMID:31264862]
ChEMBL Inhibition of IDO1 (unknown origin) by cell based assay B 7.12 pEC50 75 nM EC50 Eur J Med Chem (2017) 140: 293-304 [PMID:28963992]
ChEMBL Inhibition of IDO1 (unknown origin) by cell based assay B 7.12 pEC50 75 nM EC50 Medchemcomm (2017) 8: 1378-1392 [PMID:30108849]
ChEMBL Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs B 7.21 pEC50 61 nM EC50 J Med Chem (2016) 59: 282-293 [PMID:26642377]
tryptophan 2,3-dioxygenase/Tryptophan 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2140] [GtoPdb: 2887] [UniProtKB: P48775]
GtoPdb - - 6 pIC50 <1000 nM IC50 J Med Chem (2015) 58: 8762-82 [PMID:26207924]
ChEMBL Inhibition of TDO (unknown origin) B 6 pIC50 <1000 nM IC50 J Med Chem (2015) 58: 8762-8782 [PMID:26207924]
ChEMBL Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based concurrent assay B 6.82 pIC50 150 nM IC50 Bioorg Med Chem (2021) 39: 116160-116160 [PMID:33901770]
ChEMBL Inhibition of recombinant human TDO2 expressed in Escherichia coli BL21 (DE3) assessed as reduction in N-formylkynurenine formation using L-tryptophan as substrate incubated for 30 mins by methylene blue reagent based assay B 7.52 pIC50 30 nM IC50 Bioorg Med Chem (2021) 39: 116160-116160 [PMID:33901770]

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]