BDBM50357249 CHEMBL1916477

SMILES: CCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1

InChI Key: InChIKey=VHLLFQIJNSYDFS-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50357249   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50357249 (CHEMBL1916477) Show SMILES CCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(4.58,2.49,;4.58,.95,;3.24,.18,;3.24,-1.36,;1.91,-2.13,;1.91,-3.67,;3.24,-4.45,;4.56,-3.68,;5.89,-4.44,;5.89,-5.99,;4.56,-6.75,;3.24,-5.99,;1.91,-6.75,;1.91,-8.29,;.58,-9.06,;-.75,-8.29,;-2.08,-9.05,;-2.09,-10.59,;-3.42,-11.36,;-.75,-11.36,;.59,-10.6,;.58,-5.99,;.58,-4.45,;-.76,-3.68,;7.22,-3.67,;7.21,-2.13,;8.53,-1.35,;9.88,-2.12,;11.21,-1.34,;12.55,-2.11,;9.88,-3.66,;8.55,-4.44,)| Show InChI InChI=1S/C22H28N6O4/c1-3-32-11-10-28-18-12-17(14-4-9-19(31-2)23-13-14)26-27-20(18)21(25-22(28)30)24-15-5-7-16(29)8-6-15/h4,9,12-13,15-16,29H,3,5-8,10-11H2,1-2H3,(H,24,25,30)	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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 21: 6348-52 (2011) Article DOI: 10.1016/j.bmcl.2011.08.106 BindingDB Entry DOI: 10.7270/Q2J67HB0
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