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BDBM50002344 CHEMBL3233607

SMILES: Cn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O

InChI Key: InChIKey=ABFVQIXFKQQEOF-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002344   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50002344
PNG
(CHEMBL3233607)
Show SMILES Cn1c(N)c(N2CCCCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)
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KEGG

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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length C-terminal His6-tagged sEH expressed in Escherichia coli BL21(DE3) cells using PHOME as substrate incubated with enzy...


Bioorg Med Chem 22: 2427-34 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)