Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50035807'   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50035807 (CHEMBL3359902) Show SMILES [Na+].CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(Cc4ccccc4)oc3cc2OC)[nH]c2ccc(OS([O-])(=O)=O)cc12 Show InChI InChI=1S/C31H29NO11S.Na/c1-4-39-30(33)28-20-14-19(43-44(35,36)37)11-12-22(20)32-23(28)17-41-26-15-21-24(16-25(26)38-3)42-27(29(21)31(34)40-5-2)13-18-9-7-6-8-10-18;/h6-12,14-16,32H,4-5,13,17H2,1-3H3,(H,35,36,37);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 11a by spectrophotometric assay				Bioorg Med Chem Lett 24: 5716-20 (2014) Article DOI: 10.1016/j.bmcl.2014.10.059 BindingDB Entry DOI: 10.7270/Q2J104SW
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