Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fructose-bisphosphate aldolase class 2' and Ligand = 'BDBM50531939'   

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 class 2 (Synechocystis sp. (strain PCC 6803 / Kazusa))	BDBM50531939 (CHEMBL1424907) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccccc1 Show InChI InChI=1S/C15H12N4O4S/c20-13(10-5-2-1-3-6-10)16-15(24)18-17-14(21)11-7-4-8-12(9-11)19(22)23/h1-9H,(H,17,21)(H2,16,18,20,24)	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
International Cooperation Base of Pesticide and Green Synthesis (Hubei) Curated by ChEMBL					Assay Description Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherichia coli BL21 (DE3) using FBP as substrate measured over 5 mins				Bioorg Med Chem 27: 805-812 (2019) Article DOI: 10.1016/j.bmc.2019.01.023 BindingDB Entry DOI: 10.7270/Q20P13HV
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