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 = 'BDBM462234'   

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))	BDBM462234 (US10766893, Example 3a) Show SMILES CCOc1ncccc1-c1cc(NCc2cccn3cnnc23)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C24H26N8O/c1-5-33-24-18(9-6-10-25-24)19-12-20(22-21(28-19)16(4)30-32(22)15(2)3)26-13-17-8-7-11-31-14-27-29-23(17)31/h6-12,14-15H,5,13H2,1-4H3,(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	0.320	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 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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