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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50046368   
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))
BDBM50046368
PNG
(CHEMBL320988 | [2-[2-(1-Formyl-4-guanidino-butylca...)
Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(N)=N)C=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H35F3N6O5/c1-24(2,3)39-23(38)33-19(15-7-4-8-16(13-15)25(26,27)28)21(37)34-12-6-10-18(34)20(36)32-17(14-35)9-5-11-31-22(29)30/h4,7-8,13-14,17-19H,5-6,9-12H2,1-3H3,(H,32,36)(H,33,38)(H4,29,30,31)/t17?,18-,19?/m0/s1
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin


J Med Chem 36: 314-9 (1993)


Article DOI: 10.1021/jm00055a002
BindingDB Entry DOI: 10.7270/Q2930S8J
More data for this
Ligand-Target Pair