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 = 'BDBM50169633'   

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))	BDBM50169633 (7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1...) Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H32N6O4S/c1-4-34-20-10-9-18(35(32,33)29-13-11-28(3)12-14-29)15-19(20)22-26-24(31)21-16(2)25-23(30(21)27-22)17-7-5-6-8-17/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,26,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	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
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