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BDBM50274170 CHEMBL4129973

SMILES: S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=XSAXJQNYJUGKML-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50274170   
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
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))		BDBM50274170
PNG
(CHEMBL4129973)
Show SMILES S=C(NC1C2CC3CC(C2)CC1C3)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:2:3:5:9.7.8,17:20:23:27.26.25,THB:10:8:5:12.11.3,10:11:5:9.7.8,21:22:25:29.20.28,21:20:23.22.27:25,28:20:23:27.26.25,28:26:23:29.21.20,7:6:3:9.8.10,7:8:5.6.12:3,(83.22,-16.26,;83.22,-17.8,;84.55,-18.57,;85.89,-17.8,;87.29,-18.31,;88.08,-19.88,;88.21,-18.33,;89.23,-17.19,;88.37,-15.8,;88.21,-17.23,;86.94,-15.24,;85.91,-16.37,;86.71,-17.78,;81.88,-18.57,;80.55,-17.8,;80.56,-16.25,;79.22,-15.48,;77.89,-16.25,;77.89,-17.8,;79.22,-18.57,;76.55,-15.49,;75.54,-16.77,;74.12,-16.21,;72.62,-16.63,;73.81,-15.34,;73.81,-13.85,;75.15,-13.37,;74.11,-14.61,;76.57,-13.95,;75.14,-15.83,)|
Show InChI InChI=1S/C27H36N2S/c30-26(29-25-21-9-16-5-17(11-21)12-22(25)10-16)28-24-3-1-23(2-4-24)27-13-18-6-19(14-27)8-20(7-18)15-27/h1-4,16-22,25H,5-15H2,(H2,28,29,30)
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Similars
Article
PubMed
n/an/a 5.94E+3n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate...

Bioorg Med Chem Lett 28: 2302-2313 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.024
BindingDB Entry DOI: 10.7270/Q2222X8F
More data for this
Ligand-Target Pair