Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM50453172'   

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)	BDBM50453172 (CHEMBL4216582) Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)-c1ccc(cc1)C(=O)N1CCC[C@@H]1C(N)=O |r,c:3,9| Show InChI InChI=1S/C30H34N4O4/c1-18(2)34-30(37)23-8-5-4-7-22(23)27(32-34)21-14-15-26(38-3)24(17-21)19-10-12-20(13-11-19)29(36)33-16-6-9-25(33)28(31)35/h4-5,10-15,17-18,22-23,25H,6-9,16H2,1-3H3,(H2,31,35)/t22-,23+,25+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay				J Med Chem 61: 3870-3888 (2018) Article DOI: 10.1021/acs.jmedchem.7b01670 BindingDB Entry DOI: 10.7270/Q2P84FF9
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