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 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]