Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM357230'   

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))	BDBM357230 (5-(5-chloro-2-(4-(trifluoromethyl)-1H-1,2,3-triazo...) Show SMILES [O-][n+]1cc(ccc1C1CCCCC(=O)Nc2cnn(C(F)F)c2-c2cccc1c2)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F Show InChI InChI=1S/C30H23ClF5N7O2/c31-20-9-11-24(41-16-26(39-40-41)30(34,35)36)22(13-20)19-8-10-25(42(45)15-19)21-6-1-2-7-27(44)38-23-14-37-43(29(32)33)28(23)18-5-3-4-17(21)12-18/h3-5,8-16,21,29H,1-2,6-7H2,(H,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
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