BDBM50300100 CHEMBL576952::trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-isobutyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one

SMILES: CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C

InChI Key: InChIKey=VWYPSWDBTYIGDI-CRAIPNDOSA-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 = 50300100   

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
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50300100 (CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...) Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r| Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA				J Med Chem 52: 7946-9 (2009) Article DOI: 10.1021/jm9015334 BindingDB Entry DOI: 10.7270/Q2RV0NRS
					More data for this Ligand-Target Pair				3D Structure (docked)
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM50300100 (CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...) Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r| Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA				J Med Chem 52: 7946-9 (2009) Article DOI: 10.1021/jm9015334 BindingDB Entry DOI: 10.7270/Q2RV0NRS
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM50300100 (CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...) Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r| Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA				J Med Chem 52: 7946-9 (2009) Article DOI: 10.1021/jm9015334 BindingDB Entry DOI: 10.7270/Q2RV0NRS
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50300100 (CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...) Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C |r| Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPA				J Med Chem 52: 7946-9 (2009) Article DOI: 10.1021/jm9015334 BindingDB Entry DOI: 10.7270/Q2RV0NRS
					More data for this Ligand-Target Pair				3D Structure (docked)