ChEMBL ligand: CHEMBL4297611 (Genz-682452, GENZ-682452, Genz-682452-AA, Gz402671, GZ-402671, GZ402671, GZ/SAR402671, Ibiglustat, SAR-402671, SAR402671, Venglustat)
UDP-glucose ceramide glucosyltransferase/Ceramide glucosyltransferase in Human [ChEMBL: CHEMBL2063] [GtoPdb: 2528] [UniProtKB: Q16739] There should be some charts here, you may need to enable JavaScript!
N-terminal Xaa-Pro-Lys N-methyltransferase 1 in Human [ChEMBL: CHEMBL4523442] [UniProtKB: Q9BV86] 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
UDP-glucose ceramide glucosyltransferase/Ceramide glucosyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2063] [GtoPdb: 2528] [UniProtKB: Q16739]
GtoPdb	Inhibition of glucosylceramide synthase activity in microsomes derived from human A375 melanoma cells, using fluorescent ceramide as substrate.	-	5.3	pIC50	<5000	nM	IC50	WO2012129084A2. Glucosylceramide synthase inhibitors (2014)
ChEMBL	Inhibition of Glucosylceramide synthase (unknown origin) using C6-ceramide and UDP-glucose as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by UDP-Glo luminometer analysis	B	7.36	pIC50	44	nM	IC50	ACS Med Chem Lett (2023) 14: 146-155 [PMID:36793422]
ChEMBL	Inhibition of GCS in human fibroblast	B	7.92	pIC50	12	nM	IC50	ACS Med Chem Lett (2023) 14: 146-155 [PMID:36793422]
N-terminal Xaa-Pro-Lys N-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523442] [UniProtKB: Q9BV86]
ChEMBL	Binding affinity to NTMT1 (unknown origin)assessed as dissociation constant in absence of SAM by isothermal titration calorimetry analysis	B	6.8	pKd	160	nM	Kd	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Binding affinity to NTMT1 (unknown origin) assessed as dissociation constant in presence of SAM by isothermal titration calorimetry analysis	B	7.49	pKd	32.5	nM	Kd	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using GPKRIA as substrate preincubated for 10 mins followed by substrate addition measured after 15 mins by microplate reader method	B	6.25	pIC50	560	nM	IC50	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coupled fluorescence assay	B	6.25	pIC50	560	nM	IC50	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Inhibition of N-terminal 6-his tagged TEV fused full length human NTMT1 (1 to 222 residues) expressed in Escherichia coli BL21-Codonplus(DE3)-RIL cells using GPKRIA peptide as substrate preincubated with compound for 10 mins followed by substrate addition and measured immediately by SAHH-coupled fluorescence analysis	B	6.25	pIC50	560	nM	IC50	J Med Chem (2023) 66: 1601-1615 [PMID:36634151]
ChEMBL	Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coupled fluorescence assay	B	6.3	pIC50	500	nM	IC50	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coupled fluorescence assay	B	6.38	pIC50	420	nM	IC50	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Inhibition of human NTMT1 in human HCT116 cells assessed as reduction in me3-RCC1 level incubated for 72 hrs by western blot analysis	B	6.52	pIC50	300	nM	IC50	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]
ChEMBL	Inhibition of human NTMT1 in human HCT116 cells assessed as reduction in me3-SET level incubated for 72 hrs by western blot analysis	B	6.52	pIC50	300	nM	IC50	J Med Chem (2022) 65: 12334-12345 [PMID:36074125]

ChEMBL data shown on this page come from version 34:

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]