BDBM50289464 3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[cyclopentane-1,7'-(4',5',7',8'-tetrahydro-3'H-imidazo[2,1-b]purine)]-4'-one::CHEMBL28676::SCH-57726

SMILES: CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O

InChI Key: InChIKey=COWBACSJPXQWNS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50289464   

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)	BDBM50289464 (3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...) Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine heart phosphodiesterase 3				Bioorg Med Chem Lett 7: 1381-1386 (1997) Article DOI: 10.1016/S0960-894X(97)00238-2 BindingDB Entry DOI: 10.7270/Q2RX9C32
					More data for this Ligand-Target Pair
Phosphodiesterase 5A (Bos taurus)	BDBM50289464 (3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...) Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine lung phosphodiesterase 5				Bioorg Med Chem Lett 7: 1381-1386 (1997) Article DOI: 10.1016/S0960-894X(97)00238-2 BindingDB Entry DOI: 10.7270/Q2RX9C32
					More data for this Ligand-Target Pair
Phosphodiesterase 1 (Bos taurus-BOVINE)	BDBM50289464 (3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...) Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of bovine aorta phosphodiesterase 1				Bioorg Med Chem Lett 7: 1381-1386 (1997) Article DOI: 10.1016/S0960-894X(97)00238-2 BindingDB Entry DOI: 10.7270/Q2RX9C32
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50289464 (3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...) Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 4				Bioorg Med Chem Lett 7: 1381-1386 (1997) Article DOI: 10.1016/S0960-894X(97)00238-2 BindingDB Entry DOI: 10.7270/Q2RX9C32
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50289464 (3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...) Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 2				Bioorg Med Chem Lett 7: 1381-1386 (1997) Article DOI: 10.1016/S0960-894X(97)00238-2 BindingDB Entry DOI: 10.7270/Q2RX9C32
					More data for this Ligand-Target Pair