BDBM50126644 3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-5-chlorophenyl 2-methylsulfonylbenzenesulfonate::CHEMBL37669

SMILES: CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(Cl)cc(OCCCONC(N)=N)c1

InChI Key: InChIKey=RIOHVTVHJKWBSB-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 = 50126644   

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))	BDBM50126644 (3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...) Show SMILES CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(Cl)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C17H20ClN3O7S2/c1-29(22,23)15-5-2-3-6-16(15)30(24,25)28-14-10-12(18)9-13(11-14)26-7-4-8-27-21-17(19)20/h2-3,5-6,9-11H,4,7-8H2,1H3,(H4,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the compound was tested against alpha-human thrombin				Bioorg Med Chem Lett 13: 1495-8 (2003) BindingDB Entry DOI: 10.7270/Q2668CJ9
					More data for this Ligand-Target Pair