BDBM50059044 (6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahydro-5-methyl-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one::CHEMBL308249

SMILES: CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O

InChI Key: InChIKey=WITNHWMYHWWIIQ-FTJBHMTQSA-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 = 50059044   

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)	BDBM50059044 ((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50059044 ((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	305	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
Phosphodiesterase 5A (Bos taurus)	BDBM50059044 ((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	305	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 2A (Bos taurus)	BDBM50059044 ((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	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