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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50102792   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50102792
PNG
(2-(2-Hydroxy-3-bromo-5-nitro-phenyl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1O)[N+]([O-])=O
Show InChI InChI=1S/C15H11BrN4O3/c16-11-6-9(20(22)23)5-10(14(11)21)13-4-8-3-7(15(17)18)1-2-12(8)19-13/h1-6,19,21H,(H3,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
240n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


Article DOI: 10.1021/jm0100638
BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair