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BDBM50383510 CHEMBL2031951

SMILES: C=CCO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=GINQNJOEYSUGMN-ZTXKGSLASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383510   
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))		BDBM50383510
PNG
(CHEMBL2031951)
Show SMILES C=CCO[C@@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wD:7.10,4.3,TLB:13:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14,(44.74,-48.95,;43.41,-48.18,;42.07,-48.94,;40.74,-48.16,;39.4,-48.93,;39.39,-50.47,;38.06,-51.23,;36.73,-50.46,;36.73,-48.92,;38.07,-48.15,;35.4,-51.23,;34.06,-50.46,;34.06,-48.92,;32.73,-51.23,;31.4,-50.47,;30.39,-51.74,;28.98,-51.19,;27.48,-51.61,;28.68,-50.33,;28.67,-48.84,;30.02,-48.37,;28.98,-49.59,;31.41,-48.94,;30.01,-50.81,)|
Show InChI InChI=1S/C20H32N2O2/c1-2-7-24-18-5-3-17(4-6-18)21-19(23)22-20-11-14-8-15(12-20)10-16(9-14)13-20/h2,14-18H,1,3-13H2,(H2,21,22,23)/t14?,15?,16?,17-,18+,20?
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Similars
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...

Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair