Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase I, thermostable' and Ligand = 'BDBM50123621'   

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)	BDBM50123621 (6-[3-amino-(3S)-tetrahydro-1H-1-pyrrolyl]-5-fluoro...) Show SMILES N[C@H]1CCN(C1)c1c(F)cc2c3c1oc1cc4c(ccc5ccccc45)cc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C28H20FN3O4/c29-21-10-19-24-27(25(21)31-8-7-16(30)12-31)36-23-11-18-15(6-5-14-3-1-2-4-17(14)18)9-22(23)32(24)13-20(26(19)33)28(34)35/h1-6,9-11,13,16H,7-8,12,30H2,(H,34,35)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Arizona Curated by ChEMBL					Assay Description Inhibition of Taq DNA polymerase				J Med Chem 46: 571-83 (2003) Article DOI: 10.1021/jm0203377 BindingDB Entry DOI: 10.7270/Q2MS3S4K
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