Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50153117'   

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)	BDBM50153117 ((S)-4-((5R,10R,13R,17R)-3-Hydroxy-5,10,13-trimethy...) Show SMILES C[C@@H](CCC(O)=O)[C@H]1CCC2C3CC[C@]4(C)CC(O)CC[C@]4(C)C3CC[C@]12C Show InChI InChI=1S/C25H42O3/c1-16(5-8-22(27)28)19-6-7-20-18-10-12-23(2)15-17(26)9-14-25(23,4)21(18)11-13-24(19,20)3/h16-21,26H,5-15H2,1-4H3,(H,27,28)/t16-,17?,18?,19+,20?,21?,23+,24+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Frontier Research Center for Genome & Drug Discovery Curated by ChEMBL					Assay Description Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units				J Med Chem 47: 4971-4 (2004) Article DOI: 10.1021/jm030553v BindingDB Entry DOI: 10.7270/Q2RN37BH
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