Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A' and Ligand = 'BDBM50034646'   

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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM50034646 (CHEMBL3360420) Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(CC(C)C)ncc3c(=O)[nH]2)cc1 |r| Show InChI InChI=1S/C19H24N6O3/c1-11(2)10-25-16-15(9-20-25)18(27)24-19(23-16)21-12(3)17(26)22-13-5-7-14(28-4)8-6-13/h5-9,11-12H,10H2,1-4H3,(H,22,26)(H2,21,23,24,27)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis				J Med Chem 57: 10304-13 (2014) Article DOI: 10.1021/jm500836h BindingDB Entry DOI: 10.7270/Q28P624W
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