BDBM50083965 3-[((2E)-2-{[(E)-amino(imino)methyl]hydrazono}ethyl)oxy]-5-methylphenyl 2-methoxybenzenesulfonate::CHEMBL128016

SMILES: COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC=NNC(N)=N)c1

InChI Key: InChIKey=QOLWOCSONNTNTB-UHFFFAOYSA-N

Data: 1 KI

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 = 50083965   

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
Prothrombin (Homo sapiens (Human))	BDBM50083965 (3-[((2E)-2-{[(E)-amino(imino)methyl]hydrazono}ethy...) Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCC=NNC(N)=N)c1 |w:21.22| Show InChI InChI=1S/C17H20N4O5S/c1-12-9-13(25-8-7-20-21-17(18)19)11-14(10-12)26-27(22,23)16-6-4-3-5-15(16)24-2/h3-7,9-11H,8H2,1-2H3,(H4,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory constant against human alpha thrombin				Bioorg Med Chem Lett 10: 1-4 (2000) BindingDB Entry DOI: 10.7270/Q2HH6J9C
					More data for this Ligand-Target Pair