Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM357110'   

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))	BDBM357110 (9-(5-(5-chloro-2-(1h-tetrazol-1-yl)phenyl)-1-oxido...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cc-2[n+]([O-])cc3F)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)c1 Show InChI InChI=1S/C31H26ClFN8O5/c1-46-31(43)35-20-8-9-22-26(13-20)36-30(42)5-3-2-4-21(24-14-29(22)41(45)16-25(24)33)28-10-6-18(15-40(28)44)23-12-19(32)7-11-27(23)39-17-34-37-38-39/h6-17,21H,2-5H2,1H3,(H,35,43)(H,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	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 US10214512 (2019) BindingDB Entry DOI: 10.7270/Q2668GGN
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