Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50427850'   

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))	BDBM50427850 (CHEMBL2326348) Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1 Show InChI InChI=1S/C35H29N7O14S3/c43-34-28-10-1-3-12-30(28)36-32(22-8-7-9-25(16-22)54-57(45,46)47)41(34)15-6-5-14-40-20-24(38-39-40)21-42-33(37-31-13-4-2-11-29(31)35(42)44)23-17-26(55-58(48,49)50)19-27(18-23)56-59(51,52)53/h1-4,7-13,16-20H,5-6,14-15,21H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)	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	2.13E+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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