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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50211492   
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))
BDBM50211492
PNG
(CHEMBL227139 | cyclopentanecarboxylic acid (3,5a,1...)
Show SMILES CC1C2CCC3(C)Cc4sc(NC(=O)C5CCCC5)nc4C(C)C3C2OC1=O |w:23.24,24.28,21.23,5.5,1.0,2.2|
Show InChI InChI=1S/C22H30N2O3S/c1-11-14-8-9-22(3)10-15-17(12(2)16(22)18(14)27-20(11)26)23-21(28-15)24-19(25)13-6-4-5-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,23,24,25)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibition of 5-LO activity in ionophore A23187 and arachidonic-stimulated human intact PMNL


J Med Chem 50: 2640-6 (2007)


Article DOI: 10.1021/jm060655w
BindingDB Entry DOI: 10.7270/Q21N80T8
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50211492
PNG
(CHEMBL227139 | cyclopentanecarboxylic acid (3,5a,1...)
Show SMILES CC1C2CCC3(C)Cc4sc(NC(=O)C5CCCC5)nc4C(C)C3C2OC1=O |w:23.24,24.28,21.23,5.5,1.0,2.2|
Show InChI InChI=1S/C22H30N2O3S/c1-11-14-8-9-22(3)10-15-17(12(2)16(22)18(14)27-20(11)26)23-21(28-15)24-19(25)13-6-4-5-7-13/h11-14,16,18H,4-10H2,1-3H3,(H,23,24,25)
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



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Inhibition of partially purified human 5-LO expressed in Escherichia coli


J Med Chem 50: 2640-6 (2007)


Article DOI: 10.1021/jm060655w
BindingDB Entry DOI: 10.7270/Q21N80T8
More data for this
Ligand-Target Pair