Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM153398'   

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
Phosphodiesterase (Trypanosoma brucei)	BDBM153398 (4-((3-Methoxyphenyl)amino)-8-methyl-6-(3-(5-methyl...) Show SMILES OC=O.COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2cccc(c2)-c2nnc(C)s2)C(N)=O)c1 Show InChI InChI=1S/C27H23N5O2S.CH2O2/c1-15-10-19(17-6-4-7-18(11-17)27-32-31-16(2)35-27)12-22-24(15)29-14-23(26(28)33)25(22)30-20-8-5-9-21(13-20)34-3;2-1-3/h4-14H,1-3H3,(H2,28,33)(H,29,30);1H,(H,2,3)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.4	n/a
Northeastern University					Assay Description In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25µM cAMP (Enzo Lifesci...				Chem Biol Drug Des 85: 549-64 (2015) Article DOI: 10.1111/cbdd.12443 BindingDB Entry DOI: 10.7270/Q2FF3R28
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