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BDBM50383503 CHEMBL2031950

SMILES: O=C(N[C@H]1CC[C@@H](CC1)OC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=UJRZVCXNABEDEE-GKXISKAGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50383503   
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))		BDBM50383503
PNG
(CHEMBL2031950)
Show SMILES O=C(N[C@H]1CC[C@@H](CC1)OC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 |r,wU:3.2,wD:6.9,TLB:18:19:22:26.25.24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,(-5.11,-31.85,;-5.11,-33.39,;-3.77,-34.16,;-2.44,-33.39,;-2.44,-31.85,;-1.1,-31.08,;.23,-31.86,;.23,-33.4,;-1.1,-34.16,;1.57,-31.09,;2.9,-31.87,;2.9,-33.41,;4.24,-31.1,;5.56,-31.88,;6.9,-31.12,;6.9,-29.57,;5.56,-28.8,;4.23,-29.57,;-6.44,-34.16,;-7.77,-33.39,;-8.78,-34.67,;-10.19,-34.11,;-11.69,-34.53,;-10.49,-33.26,;-10.5,-31.76,;-9.15,-31.29,;-10.19,-32.52,;-7.76,-31.86,;-9.16,-33.74,)|
Show InChI InChI=1S/C24H32N2O3/c27-22(19-4-2-1-3-5-19)29-21-8-6-20(7-9-21)25-23(28)26-24-13-16-10-17(14-24)12-18(11-16)15-24/h1-5,16-18,20-21H,6-15H2,(H2,25,26,28)/t16?,17?,18?,20-,21-,24?
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Article
PubMed
n/an/a 1n/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