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 1A/1B/1C' and Ligand = 'BDBM50169624'   

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 1A/1B/1C (Homo sapiens (Human))	BDBM50169624 (1-Cyclopentyl-6-[2-ethoxy-5-(4-methyl-piperazine-1...) Show SMILES CCOc1ccc(cc1-c1nc2n(nc(CC)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H34N6O4S/c1-4-20-22-24(31(28-20)17-8-6-7-9-17)26-23(27-25(22)32)19-16-18(10-11-21(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,26,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 1				Bioorg Med Chem Lett 15: 3900-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD
					More data for this Ligand-Target Pair