BDBM50059062 (6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methylcyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one::2-hexyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclopenta[4,5]imidazo[2,1-b]purin-4-one::CHEMBL18745

SMILES: CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1

InChI Key: InChIKey=DYIUKMSMAJWWAT-NEPJUHHUSA-N

Data: 7 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 7 hits for monomerid = 50059062   

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)	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+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 2A (Bos taurus)	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)				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)	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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))	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20E+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 5A (Bos taurus)	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	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
Phosphodiesterase 1 (BOVINE)	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	36	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50059062 ((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...) Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16| Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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