Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'S-adenosylmethionine synthase isoform type-2' and Ligand = 'BDBM50559546'
TargetS-adenosylmethionine synthase isoform type-2(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50559546(CHEMBL4760483)
Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(SCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O
Show InChI InChI=1S/C24H16F5N5O2S/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)36-23(25)26)21-18(32-34)8-9-19(30-21)37-12-24(27,28)29/h2-11,23H,12H2,1H3
Affinity DataIC50: 100nMAssay Description:Inhibition of MAT2A in human HCT-116 cells assessed as reduction in SAM incubated for 72 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetS-adenosylmethionine synthase isoform type-2(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50559546(CHEMBL4760483)
Show SMILES Cn1cc2cc(ccc2n1)-n1nc2ccc(SCC(F)(F)F)nc2c(-c2ccc(OC(F)F)cc2)c1=O
Show InChI InChI=1S/C24H16F5N5O2S/c1-33-11-14-10-15(4-7-17(14)31-33)34-22(35)20(13-2-5-16(6-3-13)36-23(25)26)21-18(32-34)8-9-19(30-21)37-12-24(27,28)29/h2-11,23H,12H2,1H3
Affinity DataIC50: 100nMAssay Description:Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells using L-methionine as substrate incubated for 60 mins followed by s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid