Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A' and Ligand = 'BDBM279068'   

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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	7.6	25
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...				US Patent US10034861 (2018) BindingDB Entry DOI: 10.7270/Q2X350HN
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...				US Patent US10512632 (2019) BindingDB Entry DOI: 10.7270/Q25T3NVN
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...				US Patent US10766893 (2020) BindingDB Entry DOI: 10.7270/Q2ZP495P
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q26977HV
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 uL samples containing a fixed amount of the PDE1 enzyme (suff...				US Patent US11026923 (2021) BindingDB Entry DOI: 10.7270/Q20R9SJ9
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2R78K2T
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM279068 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nn[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C19H23N9O/c1-5-29-19-13(7-6-8-20-19)14-9-15(21-10-16-23-26-27-24-16)18-17(22-14)12(4)25-28(18)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,21,22)(H,23,24,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S US Patent					Assay Description PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...				US Patent US10806718 (2020) BindingDB Entry DOI: 10.7270/Q27P92FR
					More data for this Ligand-Target Pair