BDBM50117704 3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-1-methyl-3,7-dihydro-purine-2,6-dione::CHEMBL87304

SMILES: CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=FCHJDFFKZXBXRA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50117704   

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))	BDBM50117704 (3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)	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	28	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 6 (Bos taurus-Bos taurus (Bovine))	BDBM50117704 (3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	217	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
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50117704 (3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)	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
Phosphodiesterase 1 (Bos taurus-BOVINE)	BDBM50117704 (3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)	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