Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50026825'   

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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50026825 (CHEMBL3331518 | US9669035, B-12) Show SMILES COc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
					More data for this Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50026825 (CHEMBL3331518 | US9669035, B-12) Show SMILES COc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C21H22N6O2/c1-14-20-24-25-21(16-10-17(28-2)12-22-11-16)27(20)19-9-15(3-4-18(19)23-14)13-26-5-7-29-8-6-26/h3-4,9-12H,5-8,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
					More data for this Ligand-Target Pair