Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50109031'   

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 (Rattus norvegicus)	BDBM50109031 (4-(10,13-Dimethyl-3-{3-[5-(2-oxo-hexahydro-thieno[...) Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCC1SCC2NC(=O)NC12 Show InChI InChI=1S/C37H59N3O6S/c1-22(8-13-32(42)43)26-11-12-27-25-10-9-23-20-24(14-17-36(23,2)28(25)15-18-37(26,27)3)46-33(44)16-19-38-31(41)7-5-4-6-30-34-29(21-47-30)39-35(45)40-34/h22-30,34H,4-21H2,1-3H3,(H,38,41)(H,42,43)(H2,39,40,45)/t22-,23?,24+,25+,26-,27+,28+,29?,30?,34?,36+,37-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibitory effect of the compound on the activity of rat DNA polymerase beta was determined by inhibitory dose curves				Bioorg Med Chem Lett 12: 287-90 (2002) BindingDB Entry DOI: 10.7270/Q2K936TC
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