Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase I, thermostable' and Ligand = 'BDBM50253694'   

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)	BDBM50253694 ((S)-2-Amino-N-(2-{7-[3-((S)-2-amino-3-phenyl-propi...) Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)Cc4ccccc4)cc3C(=O)c2c1 |r| Show InChI InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)41-17-15-33(45)43-25-11-13-27-29(21-25)36(48)30-22-26(12-14-28(30)35(27)47)44-34(46)16-18-42-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,49)(H,42,50)(H,43,45)(H,44,46)/t31-,32-/m0/s1	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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