Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM50527533'   

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)	BDBM50527533 (CHEMBL4592553) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCN(CC1)c1ncnc3ccsc13)C2=O)c1ccc(OC)c(OC)c1 |r,c:3,9| Show InChI InChI=1S/C27H29N5O3S/c1-34-22-8-7-17(15-23(22)35-2)24-19-5-3-4-6-20(19)27(33)32(30-24)18-9-12-31(13-10-18)26-25-21(11-14-36-25)28-16-29-26/h3-4,7-8,11,14-16,18-20H,5-6,9-10,12-13H2,1-2H3/t19-,20+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei PDEB1 (565 to 918 residues) expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP ph...				J Med Chem 63: 3485-3507 (2020) Article DOI: 10.1021/acs.jmedchem.9b00985 BindingDB Entry DOI: 10.7270/Q20005JV
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