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 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]