Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50047284   

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))	BDBM50157621 (CHEMBL3787558) Show SMILES COc1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1 Show InChI InChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.40E+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 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50384998 (CVD-0019905 | XANTHOHUMOL) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.60E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50140172 (CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...) Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.79E+5	n/a	n/a	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
					More data for this Ligand-Target Pair
Lymphocyte antigen 96 (Homo sapiens (Human))	BDBM50157621 (CHEMBL3787558) Show SMILES COc1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(OC)cc2OC)c(OC)c1 Show InChI InChI=1S/C24H28N2O6/c1-29-19-9-5-17(21(15-19)31-3)7-11-23(27)25-13-14-26-24(28)12-8-18-6-10-20(30-2)16-22(18)32-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,27)(H,26,28)/b11-7+,12-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	1.22	n/a	n/a	n/a
Wenzhou Medical University Curated by ChEMBL					Assay Description Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis				J Med Chem 59: 2436-51 (2016) Article DOI: 10.1021/acs.jmedchem.5b01574 BindingDB Entry DOI: 10.7270/Q2JW8GR7
					More data for this Ligand-Target Pair