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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 = 'BDBM120373'   
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))
BDBM120373
PNG
(US8703807, 9)
Show SMILES C[C@@H](Oc1ccc(cc1)N1CCC2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F |r,wU:15.17,wD:1.0,15.16,(5.24,1.95,;6.33,.86,;5.93,-.63,;4.45,-1.02,;4.05,-2.51,;2.56,-2.91,;1.47,-1.82,;1.87,-.33,;3.36,.06,;-.02,-2.22,;-.49,-3.68,;-2.03,-3.68,;-2.51,-2.22,;-3.6,-3.31,;-5.08,-2.91,;-5.48,-1.42,;-6.57,-2.51,;-5.48,.12,;-6.82,.89,;-8.06,-.02,;-9.31,.89,;-8.83,2.35,;-7.29,2.35,;-6.52,3.68,;-4.39,-.33,;-2.91,-.73,;-1.26,-1.32,;-1.26,.22,;7.82,1.26,;8.91,.17,;9.31,1.66,;8.22,2.75,)|
Show InChI InChI=1S/C23H29F3N2O4/c1-16(23(24,25)26)32-18-6-4-17(5-7-18)28-14-12-21(20(28)30)8-10-22(31,11-9-21)15-27-13-2-3-19(27)29/h4-7,16,31H,2-3,8-15H2,1H3/t16-,21?,22-/m1/s1
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Similars

US Patent
n/an/a 30.6n/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. Typica...


US Patent US8703807 (2014)


BindingDB Entry DOI: 10.7270/Q2RN36HB
More data for this
Ligand-Target Pair