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BDBM120372 US8703807, 8

SMILES: O[C@H](c1ccc(cc1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F

InChI Key: InChIKey=YKJJSIOUGHZZCZ-NRSPTQNISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120372   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))		BDBM120372
PNG
(US8703807, 8)
Show SMILES O[C@H](c1ccc(cc1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F |r,wU:11.27,1.0,14.15,wD:14.16,(7.24,1.92,;6.85,.44,;5.36,.04,;4.96,-1.45,;3.47,-1.85,;2.38,-.76,;2.78,.73,;4.27,1.13,;.9,-1.16,;.42,-2.62,;-1.12,-2.62,;-1.6,-1.16,;-1.6,.38,;-2.93,1.15,;-4.26,.38,;-5.6,1.15,;-5.6,-.39,;-6.93,.38,;-7.41,-1.08,;-8.95,-1.08,;-9.42,.38,;-8.18,1.29,;-8.95,2.62,;-4.26,-1.16,;-2.93,-1.93,;-.35,-.25,;-.35,1.29,;7.93,-.65,;9.42,-.25,;7.54,-2.14,;9.02,-1.74,)|
Show InChI InChI=1S/C22H27F3N2O4/c23-22(24,25)18(29)15-3-5-16(6-4-15)27-13-11-20(19(27)30)7-9-21(31,10-8-20)14-26-12-1-2-17(26)28/h3-6,18,29,31H,1-2,7-14H2/t18-,20-,21+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 213n/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