ChEMBL ligand: CHEMBL3948731
sepiapterin reductase/Sepiapterin reductase in Human [ChEMBL: CHEMBL3988583] [GtoPdb: 3020] [UniProtKB: P35270] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
sepiapterin reductase/Sepiapterin reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3988583] [GtoPdb: 3020] [UniProtKB: P35270]
ChEMBL	Inhibition of TNAS binding to human sepiapterin reductase by 19F-NMR spectra analysis	B	6.51	pIC50	310	nM	IC50	J Med Chem (2019) 62: 6391-6397 [PMID:31244106]
ChEMBL	LC/MS assay: To screen for SPR inhibition, a biochemical assay based on LC/MS (and chromogenic) read-out has been developed. The LC/MS assay monitors the product formation (L-biopterin) and the chromogenic assay measures OD at 420 nm.N-methoxyacetyl serotonin was used as a reference compound (positive control). The IC50 measured using the screening conditions was 20-40 nM, which agrees with the literature (Smith et al., Journal of Biological Chemistry, 297:5601, 1992).The exemplary assay protocol uses the following conditions: SPR (6 nM); L-Sepiapterin (50 uM); NADPH (100 uM); Na-Phosphate buffer, pH 6.5 (100 mM); 82 uL assay volume; 60 minutes incubation with compounds (0.5% final concentration in DMSO) at 37° C. in Greiner uClear 384 well plates.The following experimental procedure was applied: (1) Add 2 uL compound (inhibitor) dilutions (20% DMSO) in Greiner uClear 384 well plates. (2) Add 40 uL enzyme/assay buffer.	B	7.92	pIC50	12	nM	IC50	US-9169234-B2. Sepiapterin reductase inhibitors for the treatment of pain (2015)
ChEMBL	Chromogenic assay: To screen for SPR inhibition, a biochemical assay based on LC/MS (and chromogenic) read-out has been developed. The LC/MS assay monitors the product formation (L-biopterin) and the chromogenic assay measures OD at 420 nm.N-methoxyacetyl serotonin was used as a reference compound (positive control). The IC50 measured using the screening conditions was 20-40 nM, which agrees with the literature (Smith et al., Journal of Biological Chemistry, 297:5601, 1992). The exemplary assay protocol uses the following conditions: SPR (6 nM); L-Sepiapterin (50 uM); NADPH (100 uM); Na-Phosphate buffer, pH 6.5 (100 mM); 82 uL assay volume; 60 minutes incubation with compounds (0.5% final concentration in DMSO) at 37° C. in Greiner uClear 384 well plates.The following experimental procedure was applied: (1) Add 2 uL compound (inhibitor) dilutions (20% DMSO) in Greiner uClear 384 well plates. (2) Add 40 uL enzyme/assay buffer.	B	7.96	pIC50	11	nM	IC50	US-9169234-B2. Sepiapterin reductase inhibitors for the treatment of pain (2015)
GtoPdb	In a chromogenic cell-free enzyme assay.	-	7.96	pIC50	11	nM	IC50	WO2011047156A1. Sepiapterin reductase inhibitors for the treatment of pain (2011)

ChEMBL data shown on this page come from version 35:

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]