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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50016683'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50016683
PNG
(2-[4-(3-Chloro-benzyloxy)-phenyl]-N-hydroxy-N-meth...)
Show SMILES CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H16ClNO3/c1-18(20)16(19)10-12-5-7-15(8-6-12)21-11-13-3-2-4-14(17)9-13/h2-9,20H,10-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat polymorphonuclear leukocyte 5-lipoxygenase


J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50016683
PNG
(2-[4-(3-Chloro-benzyloxy)-phenyl]-N-hydroxy-N-meth...)
Show SMILES CN(O)C(=O)Cc1ccc(OCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H16ClNO3/c1-18(20)16(19)10-12-5-7-15(8-6-12)21-11-13-3-2-4-14(17)9-13/h2-9,20H,10-11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Invitro inhibition of polymorphonuclear leukocyte derived human 5-lipoxygenase


J Med Chem 32: 1836-42 (1989)


BindingDB Entry DOI: 10.7270/Q2VT1R21
More data for this
Ligand-Target Pair