Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with all data for entry = 50010738
LigandPNGBDBM392311(N-(3-((3-amino-5-(4-amino-4-methylpiperidin-1-yl)p...)
Show SMILES CC1(N)CCN(CC1)c1cnc(Sc2cccc(N)c2Cl)c(N)n1
Show InChI InChI=1S/C16H21ClN6S/c1-16(20)5-7-23(8-6-16)12-9-21-15(14(19)22-12)24-11-4-2-3-10(18)13(11)17/h2-4,9H,5-8,18,20H2,1H3,(H2,19,22)
Affinity DataIC50: 76nMAssay Description:Inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins in p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50541575(CHEMBL4634350)
Show SMILES CC(=O)Nc1cccc(Sc2ncc(nc2N)N2CCC(C)(N)CC2)c1Cl
Show InChI InChI=1S/C18H23ClN6OS/c1-11(26)23-12-4-3-5-13(15(12)19)27-17-16(20)24-14(10-22-17)25-8-6-18(2,21)7-9-25/h3-5,10H,6-9,21H2,1-2H3,(H2,20,24)(H,23,26)
Affinity DataIC50: 99nMAssay Description:Inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins in p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM38019(US10093646, Compound 1 | US10301278, Example 00003...)
Show SMILES CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H34N4O2/c1-18-8-7-9-19-16-20(23(29)26-22(18)19)17-28(15-14-27-12-5-6-13-27)24(30)25-21-10-3-2-4-11-21/h7-9,16,21H,2-6,10-15,17H2,1H3,(H,25,30)(H,26,29)
Affinity DataIC50: 136nMAssay Description:Inhibition of SHP2 (unknown origin) using DiFMUP as substrate preincubated for 60 mins followed by substrate addition and measured after 30 mins in p...More data for this Ligand-Target Pair