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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hormone-sensitive lipase' and Ligand = 'BDBM97634'   
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
Hormone-sensitive lipase


(Homo sapiens (Human))
BDBM97634
PNG
(US8470843, 10)
Show SMILES CC(Oc1ccc(cc1)N1CCC2(CCN(CC2O)S(=O)(=O)c2ccccc2Cl)C1=O)C(F)(F)F
Show InChI InChI=1S/C23H24ClF3N2O5S/c1-15(23(25,26)27)34-17-8-6-16(7-9-17)29-13-11-22(21(29)31)10-12-28(14-20(22)30)35(32,33)19-5-3-2-4-18(19)24/h2-9,15,20,30H,10-14H2,1H3
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Similars

US Patent
n/an/a 20n/an/an/an/a7.24



Hoffmann-La Roche Inc.

US Patent


Assay Description
HSL enzyme activity was measured by a colorimetric assay using 2,3-dimercapto-1-propanol tributyrate (Aldrich, St. Louis, MO) as a substrate.


US Patent US8470843 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NMJ
More data for this
Ligand-Target Pair