ChEMBL ligand: CHEMBL54804
Caspase 1/Caspase-1 in Human [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466] There should be some charts here, you may need to enable JavaScript!
αβ-Hydrolase 6/Monoacylglycerol lipase ABHD6 in Human [ChEMBL: CHEMBL2189127] [GtoPdb: 2919] [UniProtKB: Q9BV23] There should be some charts here, you may need to enable JavaScript!
monoacylglycerol lipase/Monoglyceride lipase in Rat [ChEMBL: CHEMBL3321] [GtoPdb: 1399] [UniProtKB: Q8R431] There should be some charts here, you may need to enable JavaScript!
Nerve Growth factor IB/Nuclear receptor subfamily 4immunitygroup A member 1 in Human [ChEMBL: CHEMBL1293229] [GtoPdb: 629] [UniProtKB: P22736] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum [ChEMBL: CHEMBL364] There should be some charts here, you may need to enable JavaScript!
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7] There should be some charts here, you may need to enable JavaScript!
protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] 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
Caspase 1/Caspase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466]
ChEMBL	Inhibition of Interleukin-1beta-converting enzyme (unknown origin)	B	7.25	pIC50	56	nM	IC50	Eur J Med Chem (2023) 261: 115861-115861 [PMID:37857145]
αβ-Hydrolase 6/Monoacylglycerol lipase ABHD6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189127] [GtoPdb: 2919] [UniProtKB: Q9BV23]
ChEMBL	Inhibition of ABHD6 (unknown origin)	B	5.89	pIC50	1300	nM	IC50	Eur J Med Chem (2020) 198: 112353-112353 [PMID:32371333]
monoacylglycerol lipase/Monoglyceride lipase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3321] [GtoPdb: 1399] [UniProtKB: Q8R431]
GtoPdb	-	-	7.03	pIC50	93	nM	IC50	Bioorg Med Chem Lett (2021) 41: 127986 [PMID:33766770]
ChEMBL	Inhibition of recombinant rat MAGL by LC-MS analysis	B	7.03	pIC50	93	nM	IC50	Bioorg Med Chem Lett (2021) 41: 127986-127986 [PMID:33766770]
Nerve Growth factor IB/Nuclear receptor subfamily 4immunitygroup A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293229] [GtoPdb: 629] [UniProtKB: P22736]
ChEMBL	Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 secs by fluorescence quenching assay	B	6.02	pKd	960	nM	Kd	Eur J Med Chem (2019) 177: 171-187 [PMID:31132532]
GtoPdb	-	-	6.02	pKd	960	nM	Kd	Eur J Med Chem (2019) 177: 171-187 [PMID:31132532]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	F	5.9	pEC50	>1250	nM	EC50	Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783]
ChEMBL	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	F	6.09	pEC50	>820	nM	EC50	Proc Natl Acad Sci U S A (2008) 105: 9059-9064 [PMID:18579783]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7]
ChEMBL	Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot	B	5.51	pKi	3100	nM	Ki	Bioorg Med Chem Lett (2010) 20: 1873-1876 [PMID:20167482]
ChEMBL	Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins	B	5.26	pIC50	5500	nM	IC50	Bioorg Med Chem Lett (2010) 20: 1873-1876 [PMID:20167482]
protein tyrosine phosphatase non-receptor type 1/Tyrosine-protein phosphatase non-receptor type 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
ChEMBL	Metabolic Measurements: Glucose in tail blood was measured using a glucometer (One-Touch Basic; Lifescan, CA). For glucose tolerance tests (GTTs), mice were fasted for 10 hours and then injected with 20% D-glucose (2 mg/g body weight) and the blood glucose was monitored immediately before and at 15, 30, 60 and 120 mins following the injection. For insulin tolerance tests (ITTs), 4-h fasted animals were given insulin (0.75 mU/g) and blood glucose was measured immediately before and at 30, 60 and 120 minutes postinjection. Serum insulin, cholesterol, triglycerides (Stanbio Labs, TX), BDNF (Abnova), IGF1 and IGFBPs (R&D Systems) were determined by enzyme-linked immunosorbent assay.	B	5	pKi	10000	nM	Ki	US-11660306-B2. Treatment of Rett syndrome (2023)

ChEMBL data shown on this page come from version 36:

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]