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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50072287'   
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
Serine protease 1


(Homo sapiens (Human))
BDBM50072287
PNG
((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O
Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10?,11-,12-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



GlaxoWellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 8: 2955-60 (1999)


Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F
More data for this
Ligand-Target Pair