Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase' and Ligand = 'BDBM76622'   

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
Fructose-bisphosphate aldolase (Mycobacterium tuberculosis (strain H37Rv))	BDBM76622 ((4-benzoxyphenyl)-pyrrolidino-methanethione | (4-p...) Show SMILES S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C18H19NOS/c21-18(19-12-4-5-13-19)16-8-10-17(11-9-16)20-14-15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q25719N6
					More data for this Ligand-Target Pair