Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM419913'   

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))	BDBM419913 (US10472344, Example 7) Show SMILES COCC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H26ClN7O4/c1-42-18-29(39)33-24-11-7-21(8-12-24)30(40)34-26(15-20-5-3-2-4-6-20)28-13-9-22(17-38(28)41)25-16-23(31)10-14-27(25)37-19-32-35-36-37/h2-14,16-17,19,26H,15,18H2,1H3,(H,33,39)(H,34,40)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					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; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
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