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BDBM50019555 CHEMBL77631::N-[3-(4-Acetyl-3-hydroxy-phenoxymethyl)-phenyl]-succinamic acid methyl ester

SMILES: COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1

InChI Key: InChIKey=ZMDNZHAORHAAFW-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50019555   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50019555
PNG
(CHEMBL77631 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-7-6-16(11-18(17)23)27-12-14-4-3-5-15(10-14)21-19(24)8-9-20(25)26-2/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.78E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat polymorphonuclear leukocytes (PMNs).


J Med Chem 29: 2329-34 (1986)


Article DOI: 10.1021/jm00161a031
BindingDB Entry DOI: 10.7270/Q2TH8KNT
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50019555
PNG
(CHEMBL77631 | N-[3-(4-Acetyl-3-hydroxy-phenoxymeth...)
Show SMILES COC(=O)CCC(=O)Nc1cccc(COc2ccc(C(C)=O)c(O)c2)c1
Show InChI InChI=1S/C20H21NO6/c1-13(22)17-7-6-16(11-18(17)23)27-12-14-4-3-5-15(10-14)21-19(24)8-9-20(25)26-2/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear leukocytes (PMNs)


J Med Chem 29: 2329-34 (1986)


Article DOI: 10.1021/jm00161a031
BindingDB Entry DOI: 10.7270/Q2TH8KNT
More data for this
Ligand-Target Pair