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 = 'BDBM99145'   

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))	BDBM99145 (US8497265, 894) Show SMILES CC(=O)N1CCC(CC1)c1nccnc1OC1CN(C1)c1ccc2ccccc2n1 Show InChI InChI=1S/C23H25N5O2/c1-16(29)27-12-8-18(9-13-27)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-17-4-2-3-5-20(17)26-21/h2-7,10-11,18-19H,8-9,12-15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human PDE9A2 using FAM-cGMP substrate by TR-FRET progressive binding assay				Bioorg Med Chem 22: 6570-85 (2015) Article DOI: 10.1016/j.bmc.2014.10.013 BindingDB Entry DOI: 10.7270/Q2RB766Q
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