Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304178'   

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))	BDBM304178 ((R)-2-(1-((4-carboxyphenyl)amino)-3-cyclopropyl-1-...) Show SMILES COc1cc([C@@H](CC2CC2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1c(F)c(Cl)ccc1C(F)F |r,wU:5.4,(-5.9,3.18,;-5.9,1.64,;-4.56,.87,;-3.23,1.64,;-1.9,.87,;-.56,1.64,;-.56,3.18,;-1.9,3.95,;-3.44,3.95,;-2.67,5.29,;.77,.87,;.77,-.67,;2.1,1.64,;3.44,.87,;4.77,1.64,;6.1,.87,;6.1,-.67,;4.77,-1.44,;3.44,-.67,;7.44,-1.44,;8.77,-.67,;7.44,-2.98,;-1.9,-.67,;-.56,-1.44,;-3.23,-1.44,;-4.56,-.67,;-5.9,-1.44,;-5.9,-2.98,;-4.56,-3.75,;-7.23,-3.75,;-7.23,-5.29,;-8.57,-2.98,;-8.57,-1.44,;-7.23,-.67,;-7.23,.87,;-8.77,.87,;-7.23,2.41,)| Show InChI InChI=1S/C26H22ClF3N2O5/c1-37-21-11-20(32(36)12-18(21)22-16(24(29)30)8-9-19(27)23(22)28)17(10-13-2-3-13)25(33)31-15-6-4-14(5-7-15)26(34)35/h4-9,11-13,17,24H,2-3,10H2,1H3,(H,31,33)(H,34,35)/t17-/m1/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	2.10	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 US10143681 (2018) BindingDB Entry DOI: 10.7270/Q2348NG3
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