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BDBM50320449 (-)-ZILEUTON::CHEMBL1164975

SMILES: C[C@H](N(O)C(N)=O)c1cc2ccccc2s1

InChI Key: InChIKey=MWLSOWXNZPKENC-ZETCQYMHSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320449   
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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50320449
PNG
((-)-ZILEUTON | CHEMBL1164975)
Show SMILES C[C@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
9.82E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Mechanism based inhibition of human cytochrome P450 1A2 measured by phenacetin O-deethylation (POD)


Curr Drug Metab 6: 413-54 (2005)


BindingDB Entry DOI: 10.7270/Q2VQ33X3
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50320449
PNG
((-)-ZILEUTON | CHEMBL1164975)
Show SMILES C[C@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)/t7-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV-vis spectrometry


J Nat Prod 72: 1857-63 (2009)


Article DOI: 10.1021/np900465e
BindingDB Entry DOI: 10.7270/Q2DB82TD
More data for this
Ligand-Target Pair