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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50177197   
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))
BDBM50177197
PNG
(2-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-...)
Show SMILES CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1S/C27H31F2N5O4/c1-14(2)34(15(3)4)23-21(28)25(37-18-9-7-8-16(12-18)24(30)31)32-26(22(23)29)38-20-11-10-17(33(5)6)13-19(20)27(35)36/h7-15H,1-6H3,(H3,30,31)(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/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