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BDBM50435180 CHEMBL2392741

SMILES: Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)nn1

InChI Key: InChIKey=BRZUEBQCXAPWAC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50435180   
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))		BDBM50435180
PNG
(CHEMBL2392741)
Show SMILES Clc1ccc(NS(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)nn1 |TLB:16:17:20:24.23.22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17|
Show InChI InChI=1S/C21H24ClN5O3S/c22-18-5-6-19(26-25-18)27-31(29,30)17-3-1-16(2-4-17)23-20(28)24-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-6,13-15H,7-12H2,(H,26,27)(H2,23,24,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/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