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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50118714'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM50118714
PNG
(7-Methoxy-naphthalene-2-sulfonic acid [5-amino-1-(...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H](CCCCN)C(=O)c1nccs1
Show InChI InChI=1S/C20H23N3O4S2/c1-27-16-7-5-14-6-8-17(13-15(14)12-16)29(25,26)23-18(4-2-3-9-21)19(24)20-22-10-11-28-20/h5-8,10-13,18,23H,2-4,9,21H2,1H3/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin.


J Med Chem 45: 4419-32 (2002)


BindingDB Entry DOI: 10.7270/Q2SX6DZV
More data for this
Ligand-Target Pair