Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B' and Ligand = 'BDBM50229796'   

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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50229796 (CHEMBL431085) Show SMILES Oc1nc2cc3cc(OCCCC(=O)NC4CCN(Cc5ccccc5)CC4)ccc3[nH]c2n1 Show InChI InChI=1S/C26H29N5O3/c32-24(27-20-10-12-31(13-11-20)17-18-5-2-1-3-6-18)7-4-14-34-21-8-9-22-19(15-21)16-23-25(28-22)30-26(33)29-23/h1-3,5-6,8-9,15-16,20H,4,7,10-14,17H2,(H,27,32)(H2,28,29,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet c-AMP phosphodiesterase PDE 3				J Med Chem 35: 2688-96 (1992) BindingDB Entry DOI: 10.7270/Q2PN97WB
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