Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with all data for entry = 5513
TargetGlycerophosphocholine phosphodiesterase GPCPD1(RAT)
Medical College of Georgia

Curated by PDSP Ki Database
LigandPNGBDBM14776(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
Affinity DataKi:  2.95nMMore data for this Ligand-Target Pair
TargetGlycerophosphocholine phosphodiesterase GPCPD1(RAT)
Medical College of Georgia

Curated by PDSP Ki Database
LigandPNGBDBM14777((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
Affinity DataKi:  9.77nMMore data for this Ligand-Target Pair