Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B' and Ligand = 'BDBM462269'   

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))	BDBM462269 (US10766893, Example 22b) Show SMILES CCOc1nnccc1-c1cc(NCc2cc(C)[nH]n2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C21H26N8O/c1-6-30-21-16(7-8-23-27-21)17-10-18(22-11-15-9-13(4)25-26-15)20-19(24-17)14(5)28-29(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,22,24)(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	0.400	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
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