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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.0
BDBM50280294

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))
BDBM50280294
PNG
(3-[1-(4-Chloro-benzyl)-3-methyl-5-(5-phenyl-pyridi...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12
Show InChI InChI=1S/C33H31ClN2O3/c1-22-29-17-28(39-21-27-14-11-25(19-35-27)24-7-5-4-6-8-24)15-16-30(29)36(20-23-9-12-26(34)13-10-23)31(22)18-33(2,3)32(37)38/h4-17,19H,18,20-21H2,1-3H3,(H,37,38)
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Article
n/an/a 9.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding activity towards 5-lipoxygenase activating protein (FLAP)


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50280294
PNG
(3-[1-(4-Chloro-benzyl)-3-methyl-5-(5-phenyl-pyridi...)
Show SMILES Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(cn3)-c3ccccc3)cc12
Show InChI InChI=1S/C33H31ClN2O3/c1-22-29-17-28(39-21-27-14-11-25(19-35-27)24-7-5-4-6-8-24)15-16-30(29)36(20-23-9-12-26(34)13-10-23)31(22)18-33(2,3)32(37)38/h4-17,19H,18,20-21H2,1-3H3,(H,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against 5-lipoxygenase in rat.


Bioorg Med Chem Lett 2: 1699-1702 (1992)


Article DOI: 10.1016/S0960-894X(00)80459-X
BindingDB Entry DOI: 10.7270/Q29C6XB4
More data for this
Ligand-Target Pair