Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with all data for entry = 50000307
LigandPNGBDBM50245826(CHEMBL4073262)
Show SMILES Oc1ccc2ccccc2c1C(N1CCCC1=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H17Cl2NO2/c22-14-8-9-16(17(23)12-14)21(24-11-3-6-19(24)26)20-15-5-2-1-4-13(15)7-10-18(20)25/h1-2,4-5,7-10,12,21,25H,3,6,11H2
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 1 hrMore data for this Ligand-Target Pair
LigandPNGBDBM50245827(CHEMBL4081014)
Show SMILES Oc1ccc2ccccc2c1C(N1CCCC1=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H21NO2/c27-22-15-14-18-8-2-4-11-20(18)24(22)25(26-16-6-13-23(26)28)21-12-5-9-17-7-1-3-10-19(17)21/h1-5,7-12,14-15,25,27H,6,13,16H2
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 1 hrMore data for this Ligand-Target Pair
LigandPNGBDBM50245822(CHEMBL4087081)
Show SMILES Cc1ccc(cc1)C(N1CCCC1=O)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C22H21NO2/c1-15-8-10-17(11-9-15)22(23-14-4-7-20(23)25)21-18-6-3-2-5-16(18)12-13-19(21)24/h2-3,5-6,8-13,22,24H,4,7,14H2,1H3
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 1 hrMore data for this Ligand-Target Pair
LigandPNGBDBM50245844(CHEMBL4098891)
Show SMILES Oc1ccc2ccccc2c1C(N1CCCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClNO2/c22-16-10-7-15(8-11-16)21(23-13-3-6-19(23)25)20-17-5-2-1-4-14(17)9-12-18(20)24/h1-2,4-5,7-12,21,24H,3,6,13H2
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate preincubated for 10 mins followed by substrate addition measured after 1 hrMore data for this Ligand-Target Pair