Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase I, thermostable' and Ligand = 'BDBM50253686'   

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)	BDBM50253686 (3-({6-[(3-ammoniopropanoyl)amino]-9,10-dioxo-9,10-...) Show SMILES NCCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CCN)ccc3C(=O)c2c1 Show InChI InChI=1S/C20H20N4O4/c21-7-5-17(25)23-11-1-3-13-15(9-11)20(28)14-4-2-12(10-16(14)19(13)27)24-18(26)6-8-22/h1-4,9-10H,5-8,21-22H2,(H,23,25)(H,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
University of Padova Curated by ChEMBL					Assay Description Inhibition of Taq polymerase				J Med Chem 51: 5566-74 (2008) Article DOI: 10.1021/jm800160v BindingDB Entry DOI: 10.7270/Q2R78F1Q
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