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 = 'BDBM501504'   

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))	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
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