Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM289802'   

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))	BDBM289802 (Methyl (4-(((S)-4-(azetidin-1-yl)-1-((R)-6-chloro-...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCN1CCC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C27H30ClN5O6/c1-38-25(36)29-19-6-3-17(4-7-19)23(34)30-22(9-13-32-11-2-12-32)24(35)33-14-10-27(16-33)20-15-18(28)5-8-21(20)31-26(37)39-27/h3-8,15,22H,2,9-14,16H2,1H3,(H,29,36)(H,30,34)(H,31,37)/t22-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	219	-38.0	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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