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Compile Data Set for Download or QSAR

Found 7 hits of non-affinity data for polymerid = 2259,50007210   
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))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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Article
PubMed
n/an/an/an/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22320
PNG
(2-piperazinyl-5-methoxyindole, 7f | ethyl 5-methox...)
Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2)n(C)c2ccc(OC)cc12
Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)21-19-16-18(28-3)10-11-20(19)24(2)22(21)26-14-12-25(13-15-26)17-8-6-5-7-9-17/h5-11,16H,4,12-15H2,1-3H3
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Article
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22321
PNG
(2-piperazinyl-5-hydroxyindole, 3g | ethyl 2-[4-(4-...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22333
PNG
(2-amino-5-hydroxyindole, 3o | ethyl 5-hydroxy-2-(p...)
Show SMILES CCOC(=O)c1c(Nc2cccnc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H15N3O3/c1-2-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-3-7-17-9-10/h3-9,18-20H,2H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22327
PNG
(2-aminoindole, 9a | methyl 2-[(1-phenylethyl)amino...)
Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)19-17-16(18(21)22-2)14-10-6-7-11-15(14)20-17/h3-12,19-20H,1-2H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22328
PNG
(2-amino-5-hydroxyindole, 14 | methyl 5-hydroxy-2-[...)
Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H18N2O3/c1-11(12-6-4-3-5-7-12)19-17-16(18(22)23-2)14-10-13(21)8-9-15(14)20-17/h3-11,19-21H,1-2H3
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PubMed
n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM22323
PNG
(2-piperazinyl-5-hydroxyindole, 3i | ethyl 2-(4-ben...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O3/c1-2-28-22(27)20-18-14-17(26)8-9-19(18)23-21(20)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14,23,26H,2,10-13,15H2,1H3
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Article
PubMed
n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair