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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50070622   
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))
BDBM50070622
PNG
(CHEMBL40704 | N-[3-(3-Guanidino-propoxy)-5-methyl-...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCNC(N)=N)c1
Show InChI InChI=1S/C17H22N4O3S/c1-13-10-14(21-25(22,23)16-6-3-2-4-7-16)12-15(11-13)24-9-5-8-20-17(18)19/h2-4,6-7,10-12,21H,5,8-9H2,1H3,(H4,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
630n/an/an/an/an/an/an/an/a



Pharmazeutisch-Chemisches Institut der Universität

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


Bioorg Med Chem Lett 8: 1613-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00269-8
BindingDB Entry DOI: 10.7270/Q2VH5N09
More data for this
Ligand-Target Pair