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SMILES: CC(C)Oc1ccc(cc1)N1CC[C@]2(CC[C@@](O)(COCCF)CC2)C1=O

InChI Key: InChIKey=YCNLXCVDSQLZQU-OYRHEFFESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120376   
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


(Homo sapiens (Human))		BDBM120376
PNG
(US8703807, 12)
Show SMILES CC(C)Oc1ccc(cc1)N1CC[C@]2(CC[C@@](O)(COCCF)CC2)C1=O |r,wU:16.17,wD:13.13,16.18,(10.08,.62,;8.59,.22,;8.19,-1.27,;7.5,1.31,;6.01,.91,;5.61,-.58,;4.13,-.98,;3.04,.11,;3.44,1.6,;4.92,2,;1.55,-.29,;1.07,-1.75,;-.47,-1.75,;-.94,-.29,;-1.34,1.2,;-2.83,1.6,;-3.92,.51,;-4.69,1.84,;-5.46,.51,;-6.23,-.82,;-7.77,-.82,;-8.54,-2.16,;-10.08,-2.16,;-3.52,-.98,;-2.03,-1.38,;.3,.62,;.3,2.16,)|
Show InChI InChI=1S/C21H30FNO4/c1-16(2)27-18-5-3-17(4-6-18)23-13-11-20(19(23)24)7-9-21(25,10-8-20)15-26-14-12-22/h3-6,16,25H,7-15H2,1-2H3/t20-,21+
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Similars
US Patent
n/an/a 37n/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