Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Probable nicotinate-nucleotide adenylyltransferase' and Ligand = 'BDBM61528'   

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 nicotinate-nucleotide adenylyltransferase (Staphylococcus aureus subsp. aureus N315)	BDBM61528 (MLS000862515 | N-(4-{[(3,4-dimethyl-5-isoxazolyl)a...) Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3cccnc3)cc2)c1C Show InChI InChI=1S/C28H25N5O4S/c1-16-12-17(2)26-23(13-16)24(14-25(31-26)20-6-5-11-29-15-20)27(34)30-21-7-9-22(10-8-21)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
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