ChEMBL ligand: CHEMBL3961833
Leukotriene C4 synthase in Human [ChEMBL: CHEMBL1743183] [GtoPdb: 1391] [UniProtKB: Q16873] 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
Leukotriene C4 synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743183] [GtoPdb: 1391] [UniProtKB: Q16873]
ChEMBL	Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulation and measured after 20 mins by LC-MS/MS analysis	B	8	pIC50	10	nM	IC50	J Med Chem (2019) 62: 7769-7787 [PMID:31415176]
ChEMBL	In Vitro hLTC4 Synthase Enzyme Assay (Test B): In the assay, LTC4 synthase catalyses the reaction where the substrate LTA4 methyl ester is converted to LTC4 methyl ester. In order to obtain IC50-values for the compounds, the following procedure was used: 10 mL of 0.6 nM of human recombinant purified LTC4 synthase expressed from Pichia Pastoris in buffer 50 mM tris (pH 7.5), 0.05% BSA 0.03% DD M 100 mM NaCl was preincubated for 30 min with 10 mL of substrate mix containing 6 mM LTA4-methyl ester substrate and 1 mM glutathione in 50 mM Tris pH7.5 0.05% BSA 0.03% DDM 100 mM NaCl together with 0.1 μL of compound of interest in DMSO at ten different concentrations, typically in the range 10^−9,5-10^−5 M as well as with DMSO only. The enzymatic reaction is initiated by addition of 10 μL LTC4S enzyme solution to 10 μL substrate solution to the assay plate containing 0.5 mL of compound in DMSO or 0.5 mL DMSO control. The reaction is stopped after 30 min by addition of 40 μL 75% (w/v) acetonitrile in H2O.	B	9.54	pIC50	0.29	nM	IC50	US-20160326143-A1. COMPOUNDS AND USES (2016)
GtoPdb	IC50 vs human recombinant purified LTC4 synthase determined by determination of inhibition of LTC4 methyl ester product formation in vitro	-	9.54	pIC50	0.29	nM	IC50	WO2016177845. Cyclopropane carboxylic acid derivatives and pharmaceutical uses thereof (2016); J Med Chem (2019) 62: 7769-7787 [PMID:31415176]
ChEMBL	Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated for 15 mins followed by substrate addition and measured after 30 mins by LC-MS/MS analysis	B	9.55	pIC50	0.28	nM	IC50	J Med Chem (2019) 62: 7769-7787 [PMID:31415176]

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]