Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50049055'   

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-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50049055 ((R)-6-(4-Benzylamino-quinazolin-7-yl)-5-methyl-4,5...) Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc2c(NCc3ccccc3)ncnc2c1 |c:6| Show InChI InChI=1S/C20H19N5O/c1-13-9-18(26)24-25-19(13)15-7-8-16-17(10-15)22-12-23-20(16)21-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)(H,21,22,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakka Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of bovine arterial Phosphodiesterase 5				J Med Chem 39: 297-303 (1996) Article DOI: 10.1021/jm950197j BindingDB Entry DOI: 10.7270/Q2V125GT
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