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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50177187   
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))
BDBM50177187
PNG
(6-[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)C(=O)NCc2ccc(Cl)cc2)c1F
Show InChI InChI=1S/C33H32ClF2N5O5/c1-17(2)41(18(3)4)28-26(35)31(45-23-7-5-6-20(14-23)29(37)38)40-32(27(28)36)46-25-13-10-21(15-24(25)33(43)44)30(42)39-16-19-8-11-22(34)12-9-19/h5-15,17-18H,16H2,1-4H3,(H3,37,38)(H,39,42)(H,43,44)
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Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Pfizer Inc

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