Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM289835'   

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))	BDBM289835 (Methyl (3-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...) Show SMILES COC(=O)Nc1ccc2c(N[C@@H](Cc3ccccc3)C(=O)N3CCC[C@@]4(C3)OC(=O)Nc3ccc(Cl)cc43)noc2c1 |r| Show InChI InChI=1S/C30H28ClN5O6/c1-40-28(38)32-20-9-10-21-25(16-20)42-35-26(21)33-24(14-18-6-3-2-4-7-18)27(37)36-13-5-12-30(17-36)22-15-19(31)8-11-23(22)34-29(39)41-30/h2-4,6-11,15-16,24H,5,12-14,17H2,1H3,(H,32,38)(H,33,35)(H,34,39)/t24-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	523	-35.9	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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