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 1C' and Ligand = 'BDBM279158'   

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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	19	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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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 1C (Homo sapiens (Human))	BDBM279158 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxypy...) Show SMILES CCOc1ncccc1-c1cc(NCc2nccc(OC)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H27N7O2/c1-6-32-23-16(8-7-10-25-23)17-12-18(26-13-19-24-11-9-20(28-19)31-5)22-21(27-17)15(4)29-30(22)14(2)3/h7-12,14H,6,13H2,1-5H3,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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