Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM285919'   

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))	BDBM285919 (3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)-7...) Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc(o1)C1(O)CCC2=CC(=C[N](O)=C12)c1c(F)c(Cl)ccc1-n1cnnn1 |c:24,t:22,27| Show InChI InChI=1S/C26H20ClFN7O5/c1-39-25(36)31-17-4-2-14(3-5-17)20-11-29-24(40-20)26(37)9-8-15-10-16(12-35(38)23(15)26)21-19(34-13-30-32-33-34)7-6-18(27)22(21)28/h2-7,10-13,37-38H,8-9H2,1H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	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 US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
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