BDBM50117708 8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phenyl]-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL89151

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

InChI Key: InChIKey=LFBNCQLVSJQTJM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50117708   

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
Phosphodiesterase 6 (Bos taurus-Bos taurus (Bovine))	BDBM50117708 (8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against bovine retina phosphodiesterase 6 activity				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50117708 (8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)	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	26	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