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BDBM50126640 3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-5-methylphenyl 2-phenylsulfonylbenzenesulfonate::CHEMBL37884

SMILES: Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=WPGWRMRTZRSQDZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126640   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50126640
PNG
(3-[3-({[(Z)-amino(imino)methyl]amino}oxy)propoxy]-...)
Show SMILES Cc1cc(OCCCONC(N)=N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H25N3O7S2/c1-17-14-18(31-12-7-13-32-26-23(24)25)16-19(15-17)33-35(29,30)22-11-6-5-10-21(22)34(27,28)20-8-3-2-4-9-20/h2-6,8-11,14-16H,7,12-13H2,1H3,(H4,24,25,26)
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Similars
PubMed
 4.80n/an/an/an/an/an/an/an/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