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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50177203   
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))
BDBM50177203
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)-c2ccccn2)c1F
Show InChI InChI=1S/C30H29F2N5O4/c1-16(2)37(17(3)4)26-24(31)28(40-20-9-7-8-19(14-20)27(33)34)36-29(25(26)32)41-23-12-11-18(15-21(23)30(38)39)22-10-5-6-13-35-22/h5-17H,1-4H3,(H3,33,34)(H,38,39)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 810n/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