Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50027114'   

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 (Mus musculus)	BDBM50027114 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES CCCCCN(CCCCC)\N=C\c1cc2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(OC)\C=C\O4 |c:38,t:40,62| Show InChI InChI=1S/C48H69N3O11/c1-12-14-16-22-51(23-17-15-13-2)49-26-34-25-35-37-42(55)32(8)45-38(35)46(57)48(10,62-45)60-24-21-36(59-11)29(5)44(61-33(9)52)31(7)41(54)30(6)40(53)27(3)19-18-20-28(4)47(58)50-39(34)43(37)56/h18-21,24-27,29-31,36,40-41,44,53-56H,12-17,22-23H2,1-11H3,(H,50,58)/b19-18+,24-21+,28-20-,49-26+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit mouse beta DNA polymerase				J Med Chem 23: 256-61 (1980) BindingDB Entry DOI: 10.7270/Q2XD10PG
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