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BDBM50126638 3-({1-[({[(Z)-amino(imino)methyl]amino}oxy)methyl]cyclopropyl}methoxy)-5-fluorophenyl 2-methylsulfonylbenzenesulfonate::CHEMBL34483

SMILES: CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(F)cc(OCC2(CONC(N)=N)CC2)c1

InChI Key: InChIKey=LKDJLQOLTJSXLH-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50126638   
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))		BDBM50126638
PNG
(3-({1-[({[(Z)-amino(imino)methyl]amino}oxy)methyl]...)
Show SMILES CS(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(F)cc(OCC2(CONC(N)=N)CC2)c1
Show InChI InChI=1S/C19H22FN3O7S2/c1-31(24,25)16-4-2-3-5-17(16)32(26,27)30-15-9-13(20)8-14(10-15)28-11-19(6-7-19)12-29-23-18(21)22/h2-5,8-10H,6-7,11-12H2,1H3,(H4,21,22,23)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
 49n/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