BDBM50427845 CHEMBL2326353

SMILES: COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cc(OC(C)=O)cc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12

InChI Key: InChIKey=OVNIYBGLDUVHIQ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50427845   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XI (Homo sapiens (Human))	BDBM50427845 (CHEMBL2326353) Show SMILES COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cc(OC(C)=O)cc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12 Show InChI InChI=1S/C39H33N5O23S4/c1-21(45)62-25-13-23(14-26(16-25)64-68(48,49)50)38-40-29-8-4-3-7-28(29)39(47)44(38)12-6-5-11-43-19-24(41-42-43)20-61-31-15-22(9-10-30(31)66-70(54,55)56)36-37(67-71(57,58)59)35(46)34-32(60-2)17-27(18-33(34)63-36)65-69(51,52)53/h3-4,7-10,13-19H,5-6,11-12,20H2,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry				J Med Chem 56: 2415-28 (2013) Article DOI: 10.1021/jm301757v BindingDB Entry DOI: 10.7270/Q27M0989
					More data for this Ligand-Target Pair