Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50184763'   

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
DNA polymerase beta (Homo sapiens (Human))	BDBM50184763 ((3aS,4S,7R,7aR)-1,6-diethyl-2,7-bis(methoxycarbony...) Show SMILES CCC1=C(C(=O)OC)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CC)=C[C@@H]2C(O)=O |c:2,20| Show InChI InChI=1S/C18H22O7/c1-5-8-7-10(16(20)21)13-12(11(8)17(22)24-3)9(6-2)14(15(13)19)18(23)25-4/h7,10-13H,5-6H2,1-4H3,(H,20,21)/t10-,11-,12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of DNA polymerase beta				Bioorg Med Chem Lett 16: 2877-81 (2006) Article DOI: 10.1016/j.bmcl.2006.03.005 BindingDB Entry DOI: 10.7270/Q25D8RF8
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