Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate lyase' and Ligand = 'BDBM50206259'   

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
Isocitrate lyase (Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)	BDBM50206259 (CHEMBL230058 | hydrohalisulfate 1) Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:23| Show InChI InChI=1S/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Ocean Research and Development Institute Curated by ChEMBL					Assay Description Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase				Bioorg Med Chem Lett 17: 2483-6 (2007) Article DOI: 10.1016/j.bmcl.2007.02.027 BindingDB Entry DOI: 10.7270/Q2N87BKP
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