Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Concanavalin-A' and Ligand = 'BDBM50246210'   

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
Concanavalin-A (Canavalia ensiformis)	BDBM50246210 (2-(3,4-dihydroxyphenyl)-4-(7-(3,4-dihydroxyphenyl)...) Show SMILES OC1Cc2c(O)cc(O)c(C3C(O)C(Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2CC1c1ccc(O)c(O)c1 Show InChI InChI=1S/C31H28O11/c32-14-7-24(39)28-26(8-14)42-31(13-2-4-19(34)23(38)6-13)30(41)29(28)27-17-9-15(12-1-3-18(33)22(37)5-12)20(35)10-16(17)21(36)11-25(27)40/h1-8,11,15,20,29-41H,9-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Southern University Curated by ChEMBL					Assay Description Inhibition of Canavalia ensiformis concanavalin A binding to yeast mannan by ELLA				Bioorg Med Chem Lett 18: 6573-5 (2008) Article DOI: 10.1016/j.bmcl.2008.09.095 BindingDB Entry DOI: 10.7270/Q2ZW1KRJ
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