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 = 'BDBM462278'   

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))	BDBM462278 (US10766893, Example 31b) Show SMILES CCCOc1cnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C Show InChI InChI=1S/C23H29N7O/c1-6-9-31-21-13-24-8-7-18(21)19-10-20(25-11-17-12-26-29(5)14-17)23-22(27-19)16(4)28-30(23)15(2)3/h7-8,10,12-15H,6,9,11H2,1-5H3,(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	0.380	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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