Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable UDP-galactopyranose mutase' and Ligand = 'BDBM163669'   

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
Probable UDP-galactopyranose mutase (Klebsiella pneumoniae (Enterobacteria))	BDBM163669 (2‐{3‐[(4‐fluorophenyl)methyl]...) Show SMILES Cc1ccc(cc1)C1=Nn2c(Cc3ccc(F)cc3)nnc2SC1CC([O-])=O |t:8| Show InChI InChI=1S/C20H17FN4O2S/c1-12-2-6-14(7-3-12)19-16(11-18(26)27)28-20-23-22-17(25(20)24-19)10-13-4-8-15(21)9-5-13/h2-9,16H,10-11H2,1H3,(H,26,27)/p-1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	22
University of Wisconsin-Madison					Assay Description Reactions were performed in duplicate at 22ºC in 50 mM NaH2PO4 buffer (pH 7) with 20 nM enzyme and 20 mM fresh sodium dithionite. Small molecules wer...				ACS Chem Biol 10: 2209-18 (2015) Article DOI: 10.1021/acschembio.5b00370 BindingDB Entry DOI: 10.7270/Q2FQ9VB4
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