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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50177201   
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))
BDBM50177201
PNG
(CHEMBL382807 | N-benzyl-6-[6-(3-carbamimidoyl-phen...)
Show SMILES CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NCc2ccccc2)c1F
Show InChI InChI=1S/C33H33F2N5O5/c1-18(2)40(19(3)4)28-26(34)31(44-23-12-8-11-21(15-23)29(36)37)39-32(27(28)35)45-25-14-13-22(16-24(25)33(42)43)30(41)38-17-20-9-6-5-7-10-20/h5-16,18-19H,17H2,1-4H3,(H3,36,37)(H,38,41)(H,42,43)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FIIa


Bioorg Med Chem Lett 16: 1060-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.076
BindingDB Entry DOI: 10.7270/Q2Q81DWW
More data for this
Ligand-Target Pair