BDBM50011523 CHEMBL3262555

SMILES: [Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OCC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12

InChI Key: InChIKey=KFCMATFTBPQDTR-UHFFFAOYSA-M

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50011523   

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))	BDBM50011523 (CHEMBL3262555) Show SMILES [Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OCC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12 Show InChI InChI=1S/C27H28O13S.Na/c1-6-34-21-12-18-16(10-22(21)40-41(30,31)32)25(27(29)36-8-3)23(39-18)13-37-20-9-15-17(11-19(20)33-5)38-14(4)24(15)26(28)35-7-2;/h9-12H,6-8,13H2,1-5H3,(H,30,31,32);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to fluorescein-EGR-labeled human factor-11a by fluorescence spectroscopic analysis				J Med Chem 57: 3559-69 (2014) Article DOI: 10.1021/jm5002698 BindingDB Entry DOI: 10.7270/Q2QR4ZNB
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50011523 (CHEMBL3262555) Show SMILES [Na+].CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OCC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12 Show InChI InChI=1S/C27H28O13S.Na/c1-6-34-21-12-18-16(10-22(21)40-41(30,31)32)25(27(29)36-8-3)23(39-18)13-37-20-9-15-17(11-19(20)33-5)38-14(4)24(15)26(28)35-7-2;/h9-12H,6-8,13H2,1-5H3,(H,30,31,32);/q;+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of full-length human factor-11a-mediated S-2366 hydrolysis preincubated for 10 mins followed by substrate addition by spectrophotometric a...				J Med Chem 57: 3559-69 (2014) Article DOI: 10.1021/jm5002698 BindingDB Entry DOI: 10.7270/Q2QR4ZNB
					More data for this Ligand-Target Pair