Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase I, thermostable' and Ligand = 'BDBM50447531'   

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 I, thermostable (Thermus aquaticus)	BDBM50447531 (CHEMBL3116094) Show SMILES CC(C)(O)C(Br)COc1c2OCOc2cc2oc(=O)ccc12 Show InChI InChI=1S/C15H15BrO6/c1-15(2,18)11(16)6-19-13-8-3-4-12(17)22-9(8)5-10-14(13)21-7-20-10/h3-5,11,18H,6-7H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
INTEQUI-CONICET Curated by ChEMBL					Assay Description Inhibition of Thermus aquaticus taq DNA polymerase by PCR analysis				Bioorg Med Chem Lett 24: 760-4 (2014) Article DOI: 10.1016/j.bmcl.2013.12.104 BindingDB Entry DOI: 10.7270/Q21C1ZCM
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