Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lymphocyte antigen 96' and Ligand = 'BDBM43491'   

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
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM43491 ((3E,5E)-3,5-bis(3,4,5-trimethoxybenzylidene)tetrah...) Show SMILES COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC Show InChI InChI=1S/C25H28O8/c1-27-19-9-15(10-20(28-2)24(19)31-5)7-17-13-33-14-18(23(17)26)8-16-11-21(29-3)25(32-6)22(12-16)30-4/h7-12H,13-14H2,1-6H3/b17-7+,18-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.11E+4	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 by SPR analysis				Eur J Med Chem 148: 291-305 (2018) Article DOI: 10.1016/j.ejmech.2018.02.008 BindingDB Entry DOI: 10.7270/Q23X897R
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