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 = 'BDBM50398791'   

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))	BDBM50398791 (CHEMBL2177504) Show SMILES COc1ccccc1OC1CCN(C1)[C@H](C)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1 |r| Show InChI InChI=1S/C23H29N5O3/c1-15(27-12-11-17(14-27)31-20-10-6-5-9-19(20)30-2)21-25-22-18(23(29)26-21)13-24-28(22)16-7-3-4-8-16/h5-6,9-10,13,15-17H,3-4,7-8,11-12,14H2,1-2H3,(H,25,26,29)/t15-,17?/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	148	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE9A using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 9055-68 (2012) Article DOI: 10.1021/jm3009635 BindingDB Entry DOI: 10.7270/Q2CR5VHK
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