Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM304133'   

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))	BDBM304133 ((R)-4-{[2-{5-[3-chloro-6-(difluoromethoxy)-2-fluor...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CCC(F)(F)CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2OC(F)F)cc1 |r| Show InChI InChI=1S/C28H24ClF5N2O5/c29-20-6-8-22(41-27(31)32)23(24(20)30)17-3-7-21(36(40)14-17)19(13-15-9-11-28(33,34)12-10-15)25(37)35-18-4-1-16(2-5-18)26(38)39/h1-8,14-15,19,27H,9-13H2,(H,35,37)(H,38,39)/t19-/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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