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' and Ligand = 'BDBM50246909'   

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 (Homo sapiens (Human))	BDBM50246909 (CHEMBL4075951) Show SMILES CN(C)C(=O)c1cccc(c1)S(=O)(=O)N1CCS[C@H]1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r| Show InChI InChI=1S/C31H31Cl2F2N3O8S2/c1-36(2)28(39)20-4-3-5-21(12-20)48(42,43)38-10-11-47-29(38)30(40)45-26(14-22-23(32)15-37(41)16-24(22)33)19-8-9-25(46-31(34)35)27(13-19)44-17-18-6-7-18/h3-5,8-9,12-13,15-16,18,26,29,31H,6-7,10-11,14,17H2,1-2H3/t26-,29-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chiesi Farmaceutici S.p.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE1A expressed insect sf9 cells by radiometric assay				J Med Chem 60: 10026-10046 (2017) Article DOI: 10.1021/acs.jmedchem.7b01044 BindingDB Entry DOI: 10.7270/Q25H7JN4
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