Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50027129'   

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)	BDBM50027129 (2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18...) Show SMILES COC1\C=C\OC2(C)Oc3c(C2=O)c2cc(\C=N\N4CCN(Cc5cccc(OC)c5)CC4)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:41,t:3,43| Show InChI InChI=1S/C50H64N4O12/c1-27-13-11-14-28(2)49(61)52-41-35(25-51-54-20-18-53(19-21-54)26-34-15-12-16-36(23-34)62-9)24-37-39(45(41)59)44(58)32(6)47-40(37)48(60)50(8,66-47)64-22-17-38(63-10)29(3)46(65-33(7)55)31(5)43(57)30(4)42(27)56/h11-17,22-25,27,29-31,38,42-43,46,56-59H,18-21,26H2,1-10H3,(H,52,61)/b13-11+,22-17+,28-14-,51-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+5	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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