Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM394166'   

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))	BDBM394166 (5-[5-chloro-2- (1H-tetrazol- 1-yl)phenyl]- 2-(1S)-...) Show SMILES [O-][n+]1cc(ccc1[C@@H](Cc1ccccc1)c1cccc(c1)C1CCN(CC1)C(=O)C1COC1)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C35H33ClN6O3/c36-30-10-12-33(41-23-37-38-39-41)32(19-30)28-9-11-34(42(44)20-28)31(17-24-5-2-1-3-6-24)27-8-4-7-26(18-27)25-13-15-40(16-14-25)35(43)29-21-45-22-29/h1-12,18-20,23,25,29,31H,13-17,21-22H2/t31-/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	11.8	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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