BDBM50059042 CHEMBL70837::rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(trifluoromethyl)-3-(phenylmethyl)cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one

SMILES: CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccccc3)c2C1=O)C(F)(F)F

InChI Key: InChIKey=LHOSZRWWPIJINL-OLZOCXBDSA-N

Data: 3 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 3 hits for monomerid = 50059042   

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)	BDBM50059042 (CHEMBL70837 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahy...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccccc3)c2C1=O)C(F)(F)F |t:2| Show InChI InChI=1S/C19H18F3N5O/c1-25-16(28)14-15(27-13-9-5-8-12(13)23-18(25)27)24-17(19(20,21)22)26(14)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50059042 (CHEMBL70837 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahy...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccccc3)c2C1=O)C(F)(F)F |t:2| Show InChI InChI=1S/C19H18F3N5O/c1-25-16(28)14-15(27-13-9-5-8-12(13)23-18(25)27)24-17(19(20,21)22)26(14)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/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	400	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)	BDBM50059042 (CHEMBL70837 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahy...) Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccccc3)c2C1=O)C(F)(F)F |t:2| Show InChI InChI=1S/C19H18F3N5O/c1-25-16(28)14-15(27-13-9-5-8-12(13)23-18(25)27)24-17(19(20,21)22)26(14)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/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	400	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