Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50067197'   

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))	BDBM50067197 (CHEMBL3401756) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C27H30N6O4S/c1-4-8-22-24-25(33(3)32-22)27(34)31-26(30-24)20-15-18(11-12-23(20)37-5-2)38(35,36)29-14-13-17-16-28-21-10-7-6-9-19(17)21/h6-7,9-12,15-16,28-29H,4-5,8,13-14H2,1-3H3,(H,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PDE11A4				Bioorg Med Chem 23: 2121-8 (2015) Article DOI: 10.1016/j.bmc.2015.03.005 BindingDB Entry DOI: 10.7270/Q28917JN
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