Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lymphocyte antigen 96' and Ligand = 'BDBM50239340'   

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))	BDBM50239340 (CHEMBL4081306) Show SMILES Cl.Cl.Cl.Cl.CCCOc1c2Cc3cc(Cc4cc(NC(N)=N)cc(Cc5cc(NC(N)=N)cc(Cc1cc(NC(N)=N)c2)c5OCCC)c4OCCC)cc(NC(N)=N)c3 Show InChI InChI=1S/C41H54N12O3/c1-4-7-54-35-25-11-23-10-24(14-31(13-23)50-38(42)43)12-26-18-33(52-40(46)47)20-28(36(26)55-8-5-2)16-30-22-34(53-41(48)49)21-29(37(30)56-9-6-3)15-27(35)19-32(17-25)51-39(44)45/h10,13-14,17-22H,4-9,11-12,15-16H2,1-3H3,(H4,42,43,50)(H4,44,45,51)(H4,46,47,52)(H4,48,49,53)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Milano-Bicocca Curated by ChEMBL					Assay Description Binding affinity to CD14/MD2 (unknown origin) expressed in HEK-Blue cells co-expressing TLR4 assessed as inhibition of LPS-induced TLR4 signaling pre...				J Med Chem 60: 4882-4892 (2017) Article DOI: 10.1021/acs.jmedchem.7b00095 BindingDB Entry DOI: 10.7270/Q2C24ZJ0
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