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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50177210   
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))
BDBM50177210
PNG
(4-[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)-c2cccc(c2)C(C)C)c1F
Show InChI InChI=1S/C34H36F2N4O4/c1-18(2)21-9-7-10-22(15-21)23-13-14-27(26(17-23)34(41)42)44-33-29(36)30(40(19(3)4)20(5)6)28(35)32(39-33)43-25-12-8-11-24(16-25)31(37)38/h7-20H,1-6H3,(H3,37,38)(H,41,42)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/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