BDBM50059032 (6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydro-5-methylcyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one::2-isopentyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclopenta[4,5]imidazo[2,1-b]purin-4-one::CHEMBL18744

SMILES: CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1

InChI Key: InChIKey=LJFIYGMHKTXCBP-MNOVXSKESA-N

Data: 6 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 6 hits for monomerid = 50059032   

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
Heart phosphodiesterase (Bos taurus)	BDBM50059032 ((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...) Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15| Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart				J Med Chem 40: 2196-210 (1997) Article DOI: 10.1021/jm9608467 BindingDB Entry DOI: 10.7270/Q2G44PFZ
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50059032 ((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...) Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15| Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung				J Med Chem 40: 2196-210 (1997) Article DOI: 10.1021/jm9608467 BindingDB Entry DOI: 10.7270/Q2G44PFZ
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (Homo sapiens (Human))	BDBM50059032 ((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...) Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15| Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Optimum inhibitory concentration required to inhibit cGMP specific phosphodiesterase 3 (PDE3)				Bioorg Med Chem Lett 9: 7-12 (1999) BindingDB Entry DOI: 10.7270/Q22F7MMW
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (BOVINE)	BDBM50059032 ((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...) Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15| Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta				Bioorg Med Chem Lett 9: 7-12 (1999) BindingDB Entry DOI: 10.7270/Q22F7MMW
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50059032 ((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...) Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15| Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung				Bioorg Med Chem Lett 9: 7-12 (1999) BindingDB Entry DOI: 10.7270/Q22F7MMW
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50059032 ((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...) Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15| Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Banasthali University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin)				Bioorg Med Chem Lett 24: 3137-41 (2014) Article DOI: 10.1016/j.bmcl.2014.05.004 BindingDB Entry DOI: 10.7270/Q2JH3NRM
					More data for this Ligand-Target Pair