Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM394158'   

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))	BDBM394158 (3-[(4-{3-[(1S)- 1-{5-[5-chloro- 2-(1H- tetrazol-1-...) Show SMILES Clc1ccc(c(c1)-c1ccc([nH+]c1)[C@@H](Cc1ccccc1)c1cccc(c1)C1CCN(CC1)C(=O)C1CC(=O)C1)-n1cnnn1 |r| Show InChI InChI=1S/C36H33ClN6O2/c37-30-10-12-35(43-23-39-40-41-43)33(21-30)28-9-11-34(38-22-28)32(17-24-5-2-1-3-6-24)27-8-4-7-26(18-27)25-13-15-42(16-14-25)36(45)29-19-31(44)20-29/h1-12,18,21-23,25,29,32H,13-17,19-20H2/p+1/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute for Medical Research					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...				J Med Chem 52: 1943-52 (2009) BindingDB Entry DOI: 10.7270/Q2M61NK4
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