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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.5
BDBM50383919

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50383919
PNG
(CHEMBL2031660)
Show SMILES CC1(C)CC(C1)(c1ccccc1)c1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C30H27N3O3/c1-29(2)18-30(19-29,21-9-4-3-5-10-21)25-16-23(14-15-24(25)27-32-33-28(34)36-27)35-17-22-13-12-20-8-6-7-11-26(20)31-22/h3-16H,17-19H2,1-2H3,(H,33,34)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells


Bioorg Med Chem Lett 22: 4133-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.064
BindingDB Entry DOI: 10.7270/Q2348MCB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein


(Homo sapiens (Human))
BDBM50383919
PNG
(CHEMBL2031660)
Show SMILES CC1(C)CC(C1)(c1ccccc1)c1cc(OCc2ccc3ccccc3n2)ccc1-c1n[nH]c(=O)o1
Show InChI InChI=1S/C30H27N3O3/c1-29(2)18-30(19-29,21-9-4-3-5-10-21)25-16-23(14-15-24(25)27-32-33-28(34)36-27)35-17-22-13-12-20-8-6-7-11-26(20)31-22/h3-16H,17-19H2,1-2H3,(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 834n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase-activating protein in human polymorphonuclear cells assessed as inhibition of calcium ionophore-induced LTB4 production ...


Bioorg Med Chem Lett 22: 4133-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.064
BindingDB Entry DOI: 10.7270/Q2348MCB
More data for this
Ligand-Target Pair