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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50052450   
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 lipoxygenase ALOX12


(Mus musculus)
BDBM50052450
PNG
(1,8-Dihydroxy-10-(2-methoxy-phenylsulfanyl)-10H-an...)
Show SMILES COc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C21H16O4S/c1-25-16-10-2-3-11-17(16)26-21-12-6-4-8-14(22)18(12)20(24)19-13(21)7-5-9-15(19)23/h2-11,21-23H,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair
5-lipoxygenase


(Bos taurus)
BDBM50052450
PNG
(1,8-Dihydroxy-10-(2-methoxy-phenylsulfanyl)-10H-an...)
Show SMILES COc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc12
Show InChI InChI=1S/C21H16O4S/c1-25-16-10-2-3-11-17(16)26-21-12-6-4-8-14(22)18(12)20(24)19-13(21)7-5-9-15(19)23/h2-11,21-23H,1H3
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Universität Regensburg

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL


J Med Chem 39: 3132-8 (1996)


Article DOI: 10.1021/jm960259l
BindingDB Entry DOI: 10.7270/Q2MK6BZ1
More data for this
Ligand-Target Pair