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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin-1' and Ligand = 'BDBM109631'   
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
Trypsin-1


(Homo sapiens (human))
BDBM109631
PNG
(US8609715, B-22)
Show SMILES CC(Cc1ccc(s1)C(=O)Oc1ccc(cc1F)C(N)=N)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FN3O7S/c1-9(18(27)24-13(19(28)29)8-16(25)26)6-11-3-5-15(32-11)20(30)31-14-4-2-10(17(22)23)7-12(14)21/h2-5,7,9,13H,6,8H2,1H3,(H3,22,23)(H,24,27)(H,25,26)(H,28,29)/t9?,13-/m1/s1
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Similars

US Patent
0.390n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

US Patent


Assay Description
Inhibition assay using human trysin.


Citation and Details
More data for this
Ligand-Target Pair