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BDBM120374 US8703807, 10

SMILES: C[C@H](Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F

InChI Key: InChIKey=BZVIQGOMSOMKSC-ONGXBYRLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120374   
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))		BDBM120374
PNG
(US8703807, 10)
Show SMILES C[C@H](Oc1ccc(cn1)N1CC[C@]2(CC[C@@](O)(CN3CCCC3=O)CC2)C1=O)C(F)(F)F |r,wU:15.16,wD:12.12,1.0,15.17,(6.68,-.75,;7.08,.74,;5.99,1.82,;4.5,1.43,;4.1,-.06,;2.61,-.46,;1.52,.63,;1.92,2.12,;3.41,2.52,;.04,.23,;-.44,-1.23,;-1.98,-1.23,;-2.46,.23,;-2.85,1.72,;-4.34,2.12,;-5.43,1.03,;-6.2,2.36,;-6.97,1.03,;-7.74,-.31,;-7.26,-1.77,;-8.51,-2.68,;-9.76,-1.77,;-9.28,-.31,;-10.05,1.03,;-5.03,-.46,;-3.54,-.86,;-1.21,1.14,;-1.21,2.68,;8.56,1.13,;8.96,2.62,;9.65,.05,;10.05,1.53,)|
Show InChI InChI=1S/C22H28F3N3O4/c1-15(22(23,24)25)32-17-5-4-16(13-26-17)28-12-10-20(19(28)30)6-8-21(31,9-7-20)14-27-11-2-3-18(27)29/h4-5,13,15,31H,2-3,6-12,14H2,1H3/t15-,20-,21+/m0/s1
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Similars
US Patent
n/an/a 41.8n/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