Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with all data for assayid = 55 entry = 50045685
TargetHistone-lysine N-methyltransferase SETD2(Homo sapiens (Human))
Icahn School of Medicine at Mount Sinai

Curated by ChEMBL
LigandPNGBDBM50075101(CHEMBL3414624)
Show SMILES CCCN[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H29N7O5/c1-2-5-21-9(3-4-10(19)18(28)29)6-11-13(26)14(27)17(30-11)25-8-24-12-15(20)22-7-23-16(12)25/h7-11,13-14,17,21,26-27H,2-6,19H2,1H3,(H,28,29)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1
Affinity DataIC50: 800nMAssay Description:Inhibition of human SETD2 (1347 to 1711) using histamine H3 (20 to 50) as substrate assessed as transfer of [3H]-Me of [3H-Me]-SAM to peptide substra...More data for this Ligand-Target Pair