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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50129978   
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))
BDBM50129978
PNG
(CHEMBL76068 | [(1-{1-[3-(4-Carbamimidoyl-benzyl)-1...)
Show SMILES Cn1c2ccc(cc2nc(Cc2ccc(cc2)C(N)=N)c1=O)C1(CC1)C(=O)N1CCCC1C(=O)NCC(O)=O
Show InChI InChI=1S/C28H30N6O5/c1-33-21-9-8-18(14-19(21)32-20(26(33)38)13-16-4-6-17(7-5-16)24(29)30)28(10-11-28)27(39)34-12-2-3-22(34)25(37)31-15-23(35)36/h4-9,14,22H,2-3,10-13,15H2,1H3,(H3,29,30)(H,31,37)(H,35,36)
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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 13: 2297-302 (2003)


Article DOI: 10.1016/s0960-894x(03)00443-8
BindingDB Entry DOI: 10.7270/Q2KS6QXW
More data for this
Ligand-Target Pair