Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50427857'   

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))	BDBM50427857 (CHEMBL2326341) Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1 Show InChI InChI=1S/C34H27N7O10S2/c42-33-27-12-1-3-14-29(27)35-31(22-8-5-10-25(18-22)50-52(44,45)46)40(33)17-7-16-39-20-24(37-38-39)21-41-32(36-30-15-4-2-13-28(30)34(41)43)23-9-6-11-26(19-23)51-53(47,48)49/h1-6,8-15,18-20H,7,16-17,21H2,(H,44,45,46)(H,47,48,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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 using S2366 as substrate after 10 mins by spectrophotometry				J Med Chem 56: 2415-28 (2013) Article DOI: 10.1021/jm301757v BindingDB Entry DOI: 10.7270/Q27M0989
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