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BDBM50383478 CHEMBL2031926

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

InChI Key: InChIKey=VIWCJPKZDQYQRJ-GGWQJBMBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383478   
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))		BDBM50383478
PNG
(CHEMBL2031926)
Show SMILES CCCCCO[C@H]1CC[C@@H](CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |r,wU:6.5,wD:9.12,TLB:15:16:19:23.22.21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,(42.92,-15.73,;41.59,-14.96,;40.25,-15.72,;38.92,-14.95,;37.58,-15.71,;36.25,-14.94,;34.92,-15.7,;34.91,-17.24,;33.58,-18.01,;32.24,-17.24,;32.24,-15.69,;33.58,-14.93,;30.91,-18.01,;29.57,-17.24,;29.58,-15.7,;28.24,-18.01,;26.91,-17.24,;25.9,-18.52,;24.49,-17.96,;22.99,-18.38,;24.19,-17.1,;24.18,-15.61,;25.53,-15.14,;24.49,-16.37,;26.92,-15.71,;25.52,-17.59,)|
Show InChI InChI=1S/C22H38N2O2/c1-2-3-4-9-26-20-7-5-19(6-8-20)23-21(25)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h16-20H,2-15H2,1H3,(H2,23,24,25)/t16?,17?,18?,19-,20-,22?
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Similars
Article
PubMed
n/an/a 1.20n/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