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BDBM50435141 CHEMBL2392734

SMILES: CC(C)(C)c1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1

InChI Key: InChIKey=TWENLQAITOETCW-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435141   
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))		BDBM50435141
PNG
(CHEMBL2392734)
Show SMILES CC(C)(C)c1cc(NC(=O)NC2C3CC4CC(C3)CC2C4)no1 |TLB:10:11:13:17.16.15,THB:11:12:15:20.19.18,11:19:13.12.17:15,18:19:13:17.16.15,18:16:13:20.11.19,(13.67,-2.85,;12.16,-3.19,;11.12,-2.06,;12.55,-1.69,;11.7,-4.65,;10.24,-5.14,;10.25,-6.69,;8.92,-7.47,;7.59,-6.7,;7.59,-5.16,;6.25,-7.47,;4.92,-6.69,;4.43,-8.12,;4.92,-9.6,;3.59,-8.46,;2.11,-8.55,;1.56,-7.22,;2.85,-8.2,;2.07,-5.8,;3.6,-5.74,;4.01,-7.11,;11.72,-7.15,;12.61,-5.89,)|
Show InChI InChI=1S/C18H27N3O2/c1-18(2,3)14-9-15(21-23-14)19-17(22)20-16-12-5-10-4-11(7-12)8-13(16)6-10/h9-13,16H,4-8H2,1-3H3,(H2,19,20,21,22)
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Article
PubMed
n/an/a 73n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of recombinant human soluble epoxide hydrolase using CMNPC as substrate preincubated for 5 mins before substrate addition measured after 1...

Bioorg Med Chem 21: 2587-99 (2013)


Article DOI: 10.1016/j.bmc.2013.02.028
BindingDB Entry DOI: 10.7270/Q2DR2WXJ
More data for this
Ligand-Target Pair