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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Lipoxygenase' and Monomerid = 50045669   
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


(Homo sapiens (Human))
BDBM50045669
PNG
(3-[1-(3-Methoxy-benzyl)-4-methyl-6-(5-phenyl-pyrid...)
Show SMILES COc1cccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)c1
Show InChI InChI=1/C36H36N2O4S/c1-23-17-29-32(42-22-27-14-13-26(20-37-27)25-10-6-5-7-11-25)16-15-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-9-8-12-28(18-24)41-4/h5-16,18,20,23H,17,19,21-22H2,1-4H3,(H,39,40)
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PC sid
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of LTB4 biosynthesis in [Ca2+]-ionophore-activated human polymorphonuclear leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50045669
PNG
(3-[1-(3-Methoxy-benzyl)-4-methyl-6-(5-phenyl-pyrid...)
Show SMILES COc1cccc(Cn2c(CC(C)(C)C(O)=O)c3SC(C)Cc4c(OCc5ccc(cn5)-c5ccccc5)ccc2c34)c1
Show InChI InChI=1/C36H36N2O4S/c1-23-17-29-32(42-22-27-14-13-26(20-37-27)25-10-6-5-7-11-25)16-15-30-33(29)34(43-23)31(19-36(2,3)35(39)40)38(30)21-24-9-8-12-28(18-24)41-4/h5-16,18,20,23H,17,19,21-22H2,1-4H3,(H,39,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro test for inhibition of 5-lipoxygenase in cell-free preparations from rat PMN leukocytes


J Med Chem 36: 2771-87 (1993)


Article DOI: 10.1021/jm00071a008
BindingDB Entry DOI: 10.7270/Q28914XB
More data for this
Ligand-Target Pair