BDBM50126642 3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-5-methylphenyl 2-methoxybenzenesulfonate::CHEMBL36943

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

InChI Key: InChIKey=HLMOWVJEQDTZRJ-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 = 50126642   

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))	BDBM50126642 (3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...) Show SMILES COc1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCONC(N)=N)c1 Show InChI InChI=1S/C18H23N3O6S/c1-13-10-14(25-8-5-9-26-21-18(19)20)12-15(11-13)27-28(22,23)17-7-4-3-6-16(17)24-2/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H4,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.70	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