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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50344893   
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


(Homo sapiens (Human))
BDBM50344893
PNG
(CHEMBL1780186 | ethyl 2-(4-(3-(biphenyl-4-yloxy)pr...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC
Show InChI InChI=1S/C29H34O4S/c1-3-5-12-28(29(30)31-4-2)34-27-19-17-26(18-20-27)33-22-9-21-32-25-15-13-24(14-16-25)23-10-7-6-8-11-23/h6-8,10-11,13-20,28H,3-5,9,12,21-22H2,1-2H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50344893
PNG
(CHEMBL1780186 | ethyl 2-(4-(3-(biphenyl-4-yloxy)pr...)
Show SMILES CCCCC(Sc1ccc(OCCCOc2ccc(cc2)-c2ccccc2)cc1)C(=O)OCC
Show InChI InChI=1S/C29H34O4S/c1-3-5-12-28(29(30)31-4-2)34-27-19-17-26(18-20-27)33-22-9-21-32-25-15-13-24(14-16-25)23-10-7-6-8-11-23/h6-8,10-11,13-20,28H,3-5,9,12,21-22H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...


Bioorg Med Chem 19: 3394-401 (2011)


Article DOI: 10.1016/j.bmc.2011.04.034
BindingDB Entry DOI: 10.7270/Q2DV1K62
More data for this
Ligand-Target Pair