Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50089838'   

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 (Homo sapiens (Human))	BDBM50089838 (4-(3-Chloro-4-methoxy-benzylamino)-1-(3-hydroxy-pi...) Show SMILES COc1ccc(CNc2nnc(N3CCCC(O)C3)c3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-7-5-15(10-19(20)23)12-25-21-18-9-14(11-24)4-6-17(18)22(27-26-21)28-8-2-3-16(29)13-28/h4-7,9-10,16,29H,2-3,8,12-13H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description 50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets				J Med Chem 43: 2523-9 (2000) BindingDB Entry DOI: 10.7270/Q2T72J4N
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