Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isoform PDE2A1 of cGMP-dependent 3',5'-cyclic phosphodiesterase (PDE2A1)'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Isoform PDE2A1 of cGMP-dependent 3',5'-cyclic phosphodiesterase (PDE2A1) (Homo sapiens (Human))	BDBM253042 (US9493447, 1001) Show SMILES CCOC(C(=O)c1ccc(o1)-c1cc(OC)c(Cl)c(OC)c1)c1ccc(cc1)-c1nnc(C)s1 Show InChI InChI=1S/C25H23ClN2O5S/c1-5-32-24(15-6-8-16(9-7-15)25-28-27-14(2)34-25)23(29)19-11-10-18(33-19)17-12-20(30-3)22(26)21(13-17)31-4/h6-13,24H,5H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	545	n/a	n/a	n/a	n/a	7.5	30
Omeros Corporation US Patent					Assay Description The PDE assay medium consisted of (final concentrations); 50 mM Tris-HCL, pH 7.5; 8.3 mM MgCl2; 1.7 mM EGTA; 0.5 mg/mL bovine serum albumin; and subs...				US Patent US9493447 (2016) BindingDB Entry DOI: 10.7270/Q2SB44PB
					More data for this Ligand-Target Pair
Isoform PDE2A1 of cGMP-dependent 3',5'-cyclic phosphodiesterase (PDE2A1) (Homo sapiens (Human))	BDBM236643 (US9388139, 12) Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4| Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
German University; Southern Research Institute US Patent					Assay Description PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...				US Patent US9388139 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SFS
					More data for this Ligand-Target Pair
Isoform PDE2A1 of cGMP-dependent 3',5'-cyclic phosphodiesterase (PDE2A1) (Homo sapiens (Human))	BDBM236643 (US9388139, 12) Show SMILES CC(C)(C)C1=NN(C(C1)c1ccc(Cl)cc1Cl)c1ccc(cc1)C(O)=O |t:4| Show InChI InChI=1S/C20H20Cl2N2O2/c1-20(2,3)18-11-17(15-9-6-13(21)10-16(15)22)24(23-18)14-7-4-12(5-8-14)19(25)26/h4-10,17H,11H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
German University; Southern Research Institute US Patent					Assay Description PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substra...				US Patent US9388139 (2016) BindingDB Entry DOI: 10.7270/Q2GF0SFS
					More data for this Ligand-Target Pair