Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50040352'   

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))	BDBM50040352 (1,3-Bis-cyclopropylmethyl-8-[1-methyl-pyrrolidin-(...) Show SMILES COc1cc(Cn2c(N=C3CCCN3C)nc3n(CC4CC4)c(=O)n(CC4CC4)c(=O)c23)cc(OC)c1OC |w:8.7| Show InChI InChI=1S/C28H36N6O5/c1-31-11-5-6-22(31)29-27-30-25-23(32(27)16-19-12-20(37-2)24(39-4)21(13-19)38-3)26(35)34(15-18-9-10-18)28(36)33(25)14-17-7-8-17/h12-13,17-18H,5-11,14-16H2,1-4H3	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM.				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
					More data for this Ligand-Target Pair