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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50101024   
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))
BDBM50101024
PNG
(1-{4-[4-amino(imino)methylphenylsulfonamidomethyl]...)
Show SMILES NC(=N)c1ccc(cc1)S(=O)(=O)NCC1CCN(CC1)C(=O)O[C@H]1CCC[C@H](CCC1)OC(=O)N1CCN(CC1)C(=O)NCCC1CCNCC1
Show InChI InChI=1S/C35H56N8O7S/c36-32(37)28-7-9-31(10-8-28)51(47,48)40-25-27-14-19-42(20-15-27)34(45)49-29-3-1-5-30(6-2-4-29)50-35(46)43-23-21-41(22-24-43)33(44)39-18-13-26-11-16-38-17-12-26/h7-10,26-27,29-30,38,40H,1-6,11-25H2,(H3,36,37)(H,39,44)/t29-,30+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of thrombin in human mast cells


Bioorg Med Chem Lett 11: 1629-33 (2001)


Article DOI: 10.1016/s0960-894x(01)00254-2
BindingDB Entry DOI: 10.7270/Q2R78DHK
More data for this
Ligand-Target Pair