Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM388645'   

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))	BDBM388645 (US9944643, 7) Show SMILES C[C@H]1CCC[C@H](NC(=O)c2ccc(CN)c(c2)C2CC2)c2cc(ccn2)-c2ccc(NC(=O)OC3CCCC3)cc2NC1=O |r| Show InChI InChI=1S/C35H41N5O4/c1-21-5-4-8-30(39-34(42)24-11-12-25(20-36)29(17-24)22-9-10-22)32-18-23(15-16-37-32)28-14-13-26(19-31(28)40-33(21)41)38-35(43)44-27-6-2-3-7-27/h11-19,21-22,27,30H,2-10,20,36H2,1H3,(H,38,43)(H,39,42)(H,40,41)/t21-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	300	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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