Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50118256'   

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))	BDBM50118256 (2-[5-(3,4-Dimethoxy-phenyl)-pyrimidin-2-yl]-3-inda...) Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2CCCc2c1 Show InChI InChI=1S/C32H28N4O3/c1-38-27-13-12-21(15-28(27)39-2)23-16-33-32(34-17-23)36-18-25-29(35-26-9-4-3-8-24(26)31(25)37)30(36)22-11-10-19-6-5-7-20(19)14-22/h3-4,8-17,30H,5-7,18H2,1-2H3,(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Phosphodiesterase 5 activity of human corpus cavernosum				J Med Chem 45: 4094-6 (2002) BindingDB Entry DOI: 10.7270/Q2R49RGM
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