BDBM123687 US8741907, 3::US9067945, 2

SMILES: CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O

InChI Key: InChIKey=GXWSVMJGLJNVHK-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 123687   

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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
Phosphodiesterase 7B (PDE7B) (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingehleim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. Typically, serial dilutions from 20...				US Patent US9067945 (2015) BindingDB Entry DOI: 10.7270/Q2708052
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM123687 (US8741907, 3 | US9067945, 2) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=O Show InChI InChI=1S/C17H26N4O/c1-3-13(4-2)21-16-14(11-18-21)17(22)20-15(19-16)10-12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test substances are dissolved in 100% DMSO and serially diluted to determine their in vitro effect on PDE 9A. 2 uL portions of the diluted substa...				US Patent US8741907 (2014) BindingDB Entry DOI: 10.7270/Q21V5CNH
					More data for this Ligand-Target Pair