Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase A' and Ligand = 'BDBM50330435'   

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 A (Oryctolagus cuniculus)	BDBM50330435 (4-(N-hydroxy-2-(phosphonooxy)acetamido)butyl dodec...) Show SMILES CCCCCCCCCCCC(=O)OCCCCN(O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C18H36NO8P/c1-2-3-4-5-6-7-8-9-10-13-18(21)26-15-12-11-14-19(22)17(20)16-27-28(23,24)25/h22H,2-16H2,1H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Paris-Sud Curated by ChEMBL					Assay Description Inhibition of rabbit muscle zinc dependent class 1 Fba expressed in Escherichia coli				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
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