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Compile Data Set for Download or QSAR

Found 7 hits of non-affinity data for polymerid = 2259   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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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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=1/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=1/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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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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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