BDBM50117710 8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-3-isobutyl-3,7-dihydro-purine-2,6-dione::CHEMBL314981

SMILES: CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=ISAZQINXKTVKTG-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50117710   

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))	BDBM50117710 (8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30)	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	315	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Bos taurus-BOVINE)	BDBM50117710 (8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of bovine heart Phosphodiesterase 1 (PDE1)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50117710 (8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of human platelet Phosphodiesterase 3				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair