Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6334   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM123686 (US8741907, 1) Show SMILES O=c1[nH]c(CC2CCCCC2)nc2n(ncc12)C1CCCC1 Show InChI InChI=1S/C17H24N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h11-13H,1-10H2,(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM123689 (US8741907, 6) Show SMILES O=c1[nH]c(CC2CCC=C2)nc2n(ncc12)C1CCCC1 |c:8| Show InChI InChI=1S/C16H20N4O/c21-16-13-10-17-20(12-7-3-4-8-12)15(13)18-14(19-16)9-11-5-1-2-6-11/h1,5,10-12H,2-4,6-9H2,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM123688 (US8741907, 4) Show SMILES CCC(C)Cc1nc2n(ncc2c(=O)[nH]1)C1CCCC1 Show InChI InChI=1S/C15H22N4O/c1-3-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM123690 (US8741907, 12) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCC=C1)[nH]c2=O |c:17| Show InChI InChI=1S/C16H22N4O/c1-3-12(4-2)20-15-13(10-17-20)16(21)19-14(18-15)9-11-7-5-6-8-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	65	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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM123691 (US8741907, 17) Show SMILES O=c1[nH]c(CC2CCCO2)nc2n(ncc12)C1CCCC1 Show InChI InChI=1S/C15H20N4O2/c20-15-12-9-16-19(10-4-1-2-5-10)14(12)17-13(18-15)8-11-6-3-7-21-11/h9-11H,1-8H2,(H,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	86	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
High affinity cGMP-specific 3',5'-cyclic 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 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
High affinity cGMP-specific 3',5'-cyclic 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 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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (Homo sapiens (Human))	BDBM123692 (US8741907, 19) Show SMILES CCC(CC)n1ncc2c1nc(CC1CCCCC1)[nH]c2=S Show InChI InChI=1S/C17H26N4S/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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	390	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
Dual specificity 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
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 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-inhibited 3',5'-cyclic phosphodiesterase 3B (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
cGMP-dependent 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 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
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A (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
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
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 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 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