Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase I, thermostable' and Ligand = 'BDBM50327442'   

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)	BDBM50327442 (3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...) Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O |c:4| Show InChI InChI=1S/C20H15BrN2O3/c1-12(24)23-18(13-6-3-2-4-7-13)11-17(22-23)15-10-14-16(21)8-5-9-19(14)26-20(15)25/h2-10,18H,11H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Anhui University of Technology Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				Bioorg Med Chem Lett 20: 5705-8 (2010) Article DOI: 10.1016/j.bmcl.2010.08.017 BindingDB Entry DOI: 10.7270/Q2P84C30
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