Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM289837'   

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))	BDBM289837 (N-((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C27H25ClN4O6S/c28-19-8-11-22-21(15-19)27(38-26(35)31-22)12-13-32(16-27)25(34)23(14-17-4-2-1-3-5-17)30-24(33)18-6-9-20(10-7-18)39(29,36)37/h1-11,15,23H,12-14,16H2,(H,30,33)(H,31,35)(H2,29,36,37)/t23-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	928	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	25
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 US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
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