BDBM50427848 CHEMBL2326350

SMILES: OS(=O)(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1

InChI Key: InChIKey=SDFMBUNWPDRJCX-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 = 50427848   

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))	BDBM50427848 (CHEMBL2326350) Show SMILES OS(=O)(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1 Show InChI InChI=1S/C35H29N7O18S4/c43-34-28-7-1-3-9-30(28)36-32(21-13-24(57-61(45,46)47)17-25(14-21)58-62(48,49)50)41(34)12-6-5-11-40-19-23(38-39-40)20-42-33(37-31-10-4-2-8-29(31)35(42)44)22-15-26(59-63(51,52)53)18-27(16-22)60-64(54,55)56/h1-4,7-10,13-19H,5-6,11-12,20H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)	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	>1.00E+6	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