BDBM50357262 CHEMBL1916295

SMILES: CCCOCCn1c2cc(cnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1

InChI Key: InChIKey=YKZVLVJAMFIQMA-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 = 50357262   

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))	BDBM50357262 (CHEMBL1916295) Show SMILES CCCOCCn1c2cc(cnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(25.6,-22.57,;24.26,-23.34,;22.93,-22.57,;21.6,-23.34,;21.6,-24.88,;20.26,-25.65,;20.26,-27.19,;21.59,-27.97,;22.91,-27.21,;24.24,-27.97,;24.25,-29.51,;22.92,-30.28,;21.59,-29.51,;20.26,-30.27,;20.26,-31.81,;18.93,-32.59,;17.6,-31.81,;16.27,-32.57,;16.27,-34.11,;14.93,-34.88,;17.6,-34.89,;18.94,-34.12,;18.93,-29.51,;18.93,-27.97,;17.6,-27.2,;25.57,-27.19,;25.56,-25.65,;26.89,-24.88,;28.23,-25.64,;29.56,-24.87,;30.9,-25.63,;28.23,-27.18,;26.9,-27.96,)| Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-20-13-17(16-4-9-21(32-2)25-14-16)15-26-22(20)23(28-24(29)31)27-18-5-7-19(30)8-6-18/h4,9,13-15,18-19,30H,3,5-8,10-12H2,1-2H3,(H,27,28,31)	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	0.100	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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