Compile Data Set for Download or QSAR

Found 606 hits Enz. Inhib. hit(s) with all data for entry = 9936   

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 1B (Homo sapiens (Human))	BDBM501501 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c(NC(C)CC)c(n1)C(C)=N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0420	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 1B (Homo sapiens (Human))	BDBM501502 (5-(2-ethoxy-3-pyridyl)-3-methyl-N-[1- methylimidaz...) Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C23H31N7O/c1-6-15(3)28-22-20(26-12-17-13-30(5)14-27-17)11-19(29-21(22)16(4)24)18-9-8-10-25-23(18)31-7-2/h8-11,13-15,24,28H,6-7,12H2,1-5H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0450	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 1B (Homo sapiens (Human))	BDBM279063 (1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...) Show SMILES CCCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H29N7O/c1-6-10-31-23-18(8-7-9-24-23)19-11-20(25-12-17-13-26-29(5)14-17)22-21(27-19)16(4)28-30(22)15(2)3/h7-9,11,13-15H,6,10,12H2,1-5H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0650	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 1B (Homo sapiens (Human))	BDBM279017 (5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-11-19(24-12-16-10-14(4)26-27-16)21-20(25-18)15(5)28-29(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0690	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 1B (Homo sapiens (Human))	BDBM278972 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...) Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)s2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0710	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 1B (Homo sapiens (Human))	BDBM501505 (3-methyl-1-[1-methylpropyl]-5-(2-propoxy-3- pyridy...) Show SMILES CCCOc1ncccc1-c1cc(NCc2cc[nH]n2)c(NC(C)CC)c(n1)C(C)=N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0950	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 1B (Homo sapiens (Human))	BDBM279114 (1-isopropyl-3-methyl-N-[(1-methyl-1,2,4-triazol-3-...) Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H28N8O/c1-6-10-31-22-16(8-7-9-23-22)17-11-18(24-12-19-25-13-29(5)28-19)21-20(26-17)15(4)27-30(21)14(2)3/h7-9,11,13-14H,6,10,12H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0950	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 1B (Homo sapiens (Human))	BDBM501512 (1-isopropyl-3-methyl-N-[(1-methylimidazol-4- yl)me...) Show SMILES CCCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)CC Show InChI InChI=1S/C24H31N7O/c1-6-11-32-24-19(9-8-10-25-24)20-12-21(26-13-18-14-30(5)15-27-18)23-22(28-20)17(4)29-31(23)16(3)7-2/h8-10,12,14-16H,6-7,11,13H2,1-5H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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 1B (Homo sapiens (Human))	BDBM279001 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...) Show SMILES CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C21H26N8O/c1-6-30-21-15(8-7-9-22-21)16-10-17(23-11-18-24-12-28(5)27-18)20-19(25-16)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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 1B (Homo sapiens (Human))	BDBM278973 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)on2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-17(8-7-9-23-22)18-11-19(24-12-16-10-14(4)30-27-16)21-20(25-18)15(5)26-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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 1B (Homo sapiens (Human))	BDBM501504 (3-methyl-1-[1-methylpropyll-N-[(1-methyl- 1,2,4-tr...) Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C23H32N8O/c1-6-11-32-23-17(9-8-10-25-23)18-12-19(26-13-20-27-14-31(5)30-20)22(28-15(3)7-2)21(29-18)16(4)24/h8-10,12,14-15,24,28H,6-7,11,13H2,1-5H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.120	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 1B (Homo sapiens (Human))	BDBM279002 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...) Show SMILES CCOc1ncccc1-c1cc(NCc2cnc(C)s2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-17(8-7-9-23-22)18-10-19(25-12-16-11-24-15(5)30-16)21-20(26-18)14(4)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	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))	BDBM501502 (5-(2-ethoxy-3-pyridyl)-3-methyl-N-[1- methylimidaz...) Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C23H31N7O/c1-6-15(3)28-22-20(26-12-17-13-30(5)14-27-17)11-19(29-21(22)16(4)24)18-9-8-10-25-23(18)31-7-2/h8-11,13-15,24,28H,6-7,12H2,1-5H3,(H,26,29)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	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 1B (Homo sapiens (Human))	BDBM501437 (3-methyl-1-[1-methylpropyl]-N-[(2- methyltetrazol-...) Show SMILES CCCOc1ncccc1C\C=C(\NCc1nnn(C)n1)c1cc(C)nn1C(C)CC Show InChI InChI=1S/C22H32N8O/c1-6-13-31-22-18(9-8-12-23-22)10-11-19(24-15-21-25-28-29(5)27-21)20-14-16(3)26-30(20)17(4)7-2/h8-9,11-12,14,17,24H,6-7,10,13,15H2,1-5H3/b19-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	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 1B (Homo sapiens (Human))	BDBM501491 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCC(=N)\N=C/N)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C21H30N8O/c1-5-13(3)28-20-17(26-11-18(24)27-12-22)10-16(29-19(20)14(4)23)15-8-7-9-25-21(15)30-6-2/h7-10,12-13,23,28H,5-6,11H2,1-4H3,(H,26,29)(H3,22,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.150	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 1B (Homo sapiens (Human))	BDBM279073 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-4...) Show SMILES CCOc1ncccc1-c1cc(NCc2ccnc(OC)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(8-7-10-26-24)19-13-20(27-14-17-9-11-25-21(12-17)31-5)23-22(28-19)16(4)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	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 1B (Homo sapiens (Human))	BDBM279135 (5-(2-ethoxy-3-pyridyl)-N-[[5-(fluoromethyl)isoxazo...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(CF)on2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H25FN6O2/c1-5-30-22-17(7-6-8-24-22)18-10-19(25-12-15-9-16(11-23)31-28-15)21-20(26-18)14(4)27-29(21)13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	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 1B (Homo sapiens (Human))	BDBM279028 (5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...) Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(24-11-16-12-28(5)13-25-16)21-20(26-18)15(4)27-29(21)14(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	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 1B (Homo sapiens (Human))	BDBM279022 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...) Show SMILES CCOc1ncccc1-c1cc(NCc2noc(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C21H25N7O2/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-24-14(5)30-27-18)20-19(25-16)13(4)26-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	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 1B (Homo sapiens (Human))	BDBM279024 (N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(2-ethoxy-3...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)n(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H29N7O/c1-7-31-23-18(9-8-10-24-23)19-12-20(25-13-17-11-15(4)29(6)28-17)22-21(26-19)16(5)27-30(22)14(2)3/h8-12,14H,7,13H2,1-6H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	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 1B (Homo sapiens (Human))	BDBM278976 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...) Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)nn2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C21H26N8O/c1-6-30-21-16(8-7-9-22-21)17-10-18(23-11-15-12-28(5)27-25-15)20-19(24-17)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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 1B (Homo sapiens (Human))	BDBM279054 (5-(2-ethoxy-3-pyridyl)-N-[(2-fluoro-3-pyridyl)meth...) Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2F)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H25FN6O/c1-5-31-23-17(9-7-11-26-23)18-12-19(27-13-16-8-6-10-25-22(16)24)21-20(28-18)15(4)29-30(21)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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 1B (Homo sapiens (Human))	BDBM279047 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[[2-...) Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2C(F)(F)F)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H25F3N6O/c1-5-34-23-17(9-7-11-29-23)18-12-19(21-20(31-18)15(4)32-33(21)14(2)3)30-13-16-8-6-10-28-22(16)24(25,26)27/h6-12,14H,5,13H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	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 1B (Homo sapiens (Human))	BDBM279008 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...) Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)o2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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 1B (Homo sapiens (Human))	BDBM279112 (1-isopropyl-3-methyl-5-(2-propoxy-3-pyridyl)-N-(1H...) Show SMILES CCCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H27N7O/c1-5-11-30-22-17(7-6-9-23-22)18-12-19(24-13-16-8-10-25-27-16)21-20(26-18)15(4)28-29(21)14(2)3/h6-10,12,14H,5,11,13H2,1-4H3,(H,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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))	BDBM501512 (1-isopropyl-3-methyl-N-[(1-methylimidazol-4- yl)me...) Show SMILES CCCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)CC Show InChI InChI=1S/C24H31N7O/c1-6-11-32-24-19(9-8-10-25-24)20-12-21(26-13-18-14-30(5)15-27-18)23-22(28-20)17(4)29-31(23)16(3)7-2/h8-10,12,14-16H,6-7,11,13H2,1-5H3,(H,26,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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 1B (Homo sapiens (Human))	BDBM501498 (5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(5-methyl- 1,2,...) Show SMILES CCOc1ncccc1-c1cc(NCc2noc(C)n2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C22H29N7O2/c1-6-13(3)26-21-18(25-12-19-27-15(5)31-29-19)11-17(28-20(21)14(4)23)16-9-8-10-24-22(16)30-7-2/h8-11,13,23,26H,6-7,12H2,1-5H3,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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 1B (Homo sapiens (Human))	BDBM279050 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(4-methoxy-2...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(OC)ccn2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-19(8-7-10-26-24)20-13-21(27-14-17-12-18(31-5)9-11-25-17)23-22(28-20)16(4)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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 1B (Homo sapiens (Human))	BDBM279088 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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 1B (Homo sapiens (Human))	BDBM501497 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C21H29N9O/c1-6-13(3)25-20-17(24-12-18-27-29-30(5)28-18)11-16(26-19(20)14(4)22)15-9-8-10-23-21(15)31-7-2/h8-11,13,22,25H,6-7,12H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	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 1B (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	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 1B (Homo sapiens (Human))	BDBM501495 (5-(2-ethoxy-3-pyridyl)-N-[(5-methoxy-3- pyridyl)me...) Show SMILES CCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C25H32N6O2/c1-6-16(3)30-24-22(29-14-18-11-19(32-5)15-27-13-18)12-21(31-23(24)17(4)26)20-9-8-10-28-25(20)33-7-2/h8-13,15-16,26,30H,6-7,14H2,1-5H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	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 1B (Homo sapiens (Human))	BDBM501443 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N- (py...) Show SMILES CCOc1ncccc1-c1cc(NCc2ncccn2)c(NC(C)C)c(n1)C(C)=N Show InChI InChI=1S/C22H27N7O/c1-5-30-22-16(8-6-9-26-22)17-12-18(27-13-19-24-10-7-11-25-19)21(28-14(2)3)20(29-17)15(4)23/h6-12,14,23,28H,5,13H2,1-4H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	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 1B (Homo sapiens (Human))	BDBM501373 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N- [(2...) Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c(NC(C)C)c(n1)C(C)=N Show InChI InChI=1S/C20H27N9O/c1-6-30-20-14(8-7-9-22-20)15-10-16(23-11-17-26-28-29(5)27-17)19(24-12(2)3)18(25-15)13(4)21/h7-10,12,21,24H,6,11H2,1-5H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	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))	BDBM501501 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c(NC(C)CC)c(n1)C(C)=N Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	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 1B (Homo sapiens (Human))	BDBM279077 (3-[[[5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-p...) Show SMILES CCOc1ncccc1-c1cc(NCc2cccn(C)c2=O)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H28N6O2/c1-6-32-23-18(10-7-11-25-23)19-13-20(26-14-17-9-8-12-29(5)24(17)31)22-21(27-19)16(4)28-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	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 1B (Homo sapiens (Human))	BDBM279055 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(2-methoxy-3...) Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-18(10-8-12-26-24)19-13-20(27-14-17-9-7-11-25-23(17)31-5)22-21(28-19)16(4)29-30(22)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	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 1B (Homo sapiens (Human))	BDBM279069 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(2-p...) Show SMILES CCOc1ncccc1-c1cc(NCc2ccccn2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H26N6O/c1-5-30-23-18(10-8-12-25-23)19-13-20(26-14-17-9-6-7-11-24-17)22-21(27-19)16(4)28-29(22)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	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))	BDBM279024 (N-[(1,5-dimethylpyrazol-3-yl)methyl]-5-(2-ethoxy-3...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)n(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H29N7O/c1-7-31-23-18(9-8-10-24-23)19-12-20(25-13-17-11-15(4)29(6)28-17)22-21(26-19)16(5)27-30(22)14(2)3/h8-12,14H,7,13H2,1-6H3,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	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 1B (Homo sapiens (Human))	BDBM279003 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...) Show SMILES CCOc1ncccc1-c1cc(NCc2nnc(C)s2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C21H25N7OS/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-26-25-14(5)30-18)20-19(24-16)13(4)27-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	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))	BDBM279114 (1-isopropyl-3-methyl-N-[(1-methyl-1,2,4-triazol-3-...) Show SMILES CCCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H28N8O/c1-6-10-31-22-16(8-7-9-23-22)17-11-18(24-12-19-25-13-29(5)28-19)21-20(26-17)15(4)27-30(21)14(2)3/h7-9,11,13-14H,6,10,12H2,1-5H3,(H,24,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.410	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 1B (Homo sapiens (Human))	BDBM279087 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(3-methoxy-2...) Show SMILES CCOc1ncccc1-c1cc(NCc2ncccc2OC)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-17(9-7-12-26-24)18-13-19(27-14-20-21(31-5)10-8-11-25-20)23-22(28-18)16(4)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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 1B (Homo sapiens (Human))	BDBM279016 (5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...) Show SMILES CCOc1ncccc1-c1cc(NCc2c[nH]c(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(25-12-16-11-24-15(5)26-16)21-20(27-18)14(4)28-29(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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 1B (Homo sapiens (Human))	BDBM279009 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(1H-...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-9-22-21)17-11-18(23-12-15-8-10-24-26-15)20-19(25-17)14(4)27-28(20)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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 1B (Homo sapiens (Human))	BDBM279007 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...) Show SMILES CCOc1ncccc1-c1cc(NCc2coc(C)n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-17(8-7-9-23-22)18-10-19(24-11-16-12-30-15(5)25-16)21-20(26-18)14(4)27-28(21)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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 1B (Homo sapiens (Human))	BDBM278991 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(1-methylimi...) Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(ncc2n1)C(C)C Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-8-22-21)17-9-18(23-10-15-12-27(4)13-24-15)20-19(26-17)11-25-28(20)14(2)3/h6-9,11-14H,5,10H2,1-4H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	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 1B (Homo sapiens (Human))	BDBM279075 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(5-methoxy-3...) Show SMILES CCOc1ncccc1-c1cc(NCc2cncc(OC)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H28N6O2/c1-6-32-24-19(8-7-9-26-24)20-11-21(27-13-17-10-18(31-5)14-25-12-17)23-22(28-20)16(4)29-30(23)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	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))	BDBM501501 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)[nH]n2)c(NC(C)CC)c(n1)C(C)=N Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	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))	BDBM278972 (5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...) Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)s2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	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 1B (Homo sapiens (Human))	BDBM501491 (5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1- methylpropyl...) Show SMILES CCOc1ncccc1-c1cc(NCC(=N)\N=C/N)c(NC(C)CC)c(n1)C(C)=N Show InChI InChI=1S/C21H30N8O/c1-5-13(3)28-20-17(26-11-18(24)27-12-22)10-16(29-19(20)14(4)23)15-8-7-9-25-21(15)30-6-2/h7-10,12-13,23,28H,5-6,11H2,1-4H3,(H,26,29)(H3,22,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	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

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