Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM289852'   

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))	BDBM289852 ((2-(4-(((S)-1-((R)-6-Chloro-5-fluoro-2-oxo-1,2-dih...) Show SMILES OP(O)(=O)COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C30H28ClF2N4O9P/c31-21-9-10-22-24(25(21)33)30(46-29(41)36-22)11-2-12-37(15-30)27(39)23(14-17-3-1-4-19(32)13-17)35-26(38)18-5-7-20(8-6-18)34-28(40)45-16-47(42,43)44/h1,3-10,13,23H,2,11-12,14-16H2,(H,34,40)(H,35,38)(H,36,41)(H2,42,43,44)/t23-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	367	-36.7	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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