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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50272539   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50272539
PNG
(3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)32-21(11-12-22(28)34)25(35)31-14-17-7-9-19(10-8-17)24(29)30/h4-10,13,16,21,23,33H,3,11-12,14-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
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Similars

Article
PubMed
5.73E+3n/an/an/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 4533-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.044
BindingDB Entry DOI: 10.7270/Q29G5MN3
More data for this
Ligand-Target Pair