BDBM50593123 GENZ-682452::GZ-402671::GZ/SAR402671::GZ402671::Genz-682452::Genz-682452-AA::Gz402671::Ibiglustat::SAR-402671::SAR402671::US12083115, Compound 2::VENGLUSTAT::Venglustat

SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1

InChI Key InChIKey=YFHRCLAKZBDRHN-UHFFFAOYSA-N

Data  10 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50593123   

TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 44nMAssay Description:Inhibition of Glucosylceramide synthase (unknown origin) using C6-ceramide and UDP-glucose as substrate preincubated for 30 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 12nMAssay Description:Inhibition of GCS in human fibroblastMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 500nMAssay Description:Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coup...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 500nMAssay Description:Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coup...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 560nMAssay Description:Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as SAH production by SAHH-coup...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataKd:  33nMAssay Description:Binding affinity to NTMT1 (unknown origin) assessed as dissociation constant in presence of SAM by isothermal titration calorimetry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataKd:  160nMAssay Description:Binding affinity to NTMT1 (unknown origin)assessed as dissociation constant in absence of SAM by isothermal titration calorimetry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 560nMAssay Description:Inhibition of full length NTMT1 (1 to 222 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) using GPKRIA as substrate preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human NTMT1 in human HCT116 cells assessed as reduction in me3-RCC1 level incubated for 72 hrs by western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human NTMT1 in human HCT116 cells assessed as reduction in me3-SET level incubated for 72 hrs by western blot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 560nMAssay Description: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 cel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetMannosyl-oligosaccharide glucosidase(Human)
Genzyme

US Patent
LigandPNGBDBM50593123(Venglustat | Genz-682452 | Gz402671 | Ibiglustat |...)
Affinity DataIC50: 6.01E+4nMAssay Description:To determine glucosylceramide synthase inhibition, substrates at 2× of their Km (fluorescent ceramide and UDP-glucose, 3 μM and 4 μM respec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2025
Entry Details
Go to US Patent