Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase' and Ligand = 'BDBM50330438'   

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 (Helicobacter pylori)	BDBM50330438 (3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...) Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	13	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 Helicobacter pylori recombinant zinc dependent class 2 Fba expressed in Escherichia coli JM109				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-bisphosphate aldolase (Mycobacterium tuberculosis (strain H37Rv))	BDBM50330438 (3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...) Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	13	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 Mycobacterium tuberculosis zinc dependent class 2 Fba				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase (Candida albicans)	BDBM50330438 (3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihyd...) Show SMILES ON(CCCOP(O)(O)=O)C(=O)COP(O)(O)=O Show InChI InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	200	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 Candida albicans zinc dependent class 2 Fba				J Med Chem 53: 7836-42 (2010) Article DOI: 10.1021/jm1009814 BindingDB Entry DOI: 10.7270/Q2MG7PQC
					More data for this Ligand-Target Pair