Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM388646'   

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))	BDBM388646 (US9944643, 8) Show SMILES COCCOC(=O)Nc1ccc-2c(NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3ccc(CN)c(c3)C3CC3)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C33H39N5O5/c1-20-4-3-5-28(37-32(40)23-8-9-24(19-34)27(16-23)21-6-7-21)30-17-22(12-13-35-30)26-11-10-25(18-29(26)38-31(20)39)36-33(41)43-15-14-42-2/h8-13,16-18,20-21,28H,3-7,14-15,19,34H2,1-2H3,(H,36,41)(H,37,40)(H,38,39)/t20-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Shinyaku Co.					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; J T B...				Bioorg Med Chem 17: 119-32 (2009) BindingDB Entry DOI: 10.7270/Q2XW4N5K
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