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SMILES: CCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C

InChI Key: InChIKey=RJECUSNDCHWSNO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 462251   

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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM462251 (US10766893, Example 4b) Show SMILES CCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H28N8O/c1-6-9-31-22-17(7-8-24-27-22)18-10-19(23-11-16-12-25-29(5)13-16)21-20(26-18)15(4)28-30(21)14(2)3/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	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)
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C (Homo sapiens (Human))	BDBM462251 (US10766893, Example 4b) Show SMILES CCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H28N8O/c1-6-9-31-22-17(7-8-24-27-22)18-10-19(23-11-16-12-25-29(5)13-16)21-20(26-18)15(4)28-30(21)14(2)3/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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)
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM462251 (US10766893, Example 4b) Show SMILES CCCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C22H28N8O/c1-6-9-31-22-17(7-8-24-27-22)18-10-19(23-11-16-12-25-29(5)13-16)21-20(26-18)15(4)28-30(21)14(2)3/h7-8,10,12-14H,6,9,11H2,1-5H3,(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	0.350	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 were performed in 60 μL samples containing a fixed amount of the PDE1 enzyme...				US Patent US10766893 (2020)
					More data for this Ligand-Target Pair