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 = 'BDBM50034643'   

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))	BDBM50034643 (CHEMBL3360417) Show SMILES COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r| Show InChI InChI=1S/C23H30N6O3/c1-14(2)12-19(22(31)25-15-8-10-17(32-3)11-9-15)26-23-27-20-18(21(30)28-23)13-24-29(20)16-6-4-5-7-16/h8-11,13-14,16,19H,4-7,12H2,1-3H3,(H,25,31)(H2,26,27,28,30)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	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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