BDBM50126645 3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-5-ethylphenyl 2-methylsulfonyl benzenesulfonate::CHEMBL433044

SMILES: CCc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1

InChI Key: InChIKey=ZCRWDWTYYRDFMD-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 = 50126645   

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))	BDBM50126645 (3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...) Show SMILES CCc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 Show InChI InChI=1S/C19H25N3O7S2/c1-3-14-11-15(27-9-6-10-28-22-19(20)21)13-16(12-14)29-31(25,26)18-8-5-4-7-17(18)30(2,23)24/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H4,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	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