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PubMed code 11459668

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102217
PNG
(3-[5-(4-Fluoro-phenylcarbamoyl)-1-oxy-pyridine-2-s...)
Show SMILES OC(=O)c1cccc(c1)S(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H13FN2O6S/c20-14-5-7-15(8-6-14)21-18(23)13-4-9-17(22(26)11-13)29(27,28)16-3-1-2-12(10-16)19(24)25/h1-11H,(H,21,23)(H,24,25)
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n/an/a 32n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102229
PNG
(6-Benzenesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicoti...)
Show SMILES [O-][n+]1cc(ccc1S(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H13FN2O4S/c19-14-7-9-15(10-8-14)20-18(22)13-6-11-17(21(23)12-13)26(24,25)16-4-2-1-3-5-16/h1-12H,(H,20,22)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102225
PNG
(CHEMBL39740 | N'-(3-[2,2']Bithiophenyl-5-yl-6,7-di...)
Show SMILES CCN(CC)CCCCNc1nc2cc(Cl)c(Cl)cc2nc1-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C24H26Cl2N4S2/c1-3-30(4-2)12-6-5-11-27-24-23(22-10-9-21(32-22)20-8-7-13-31-20)28-18-14-16(25)17(26)15-19(18)29-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,27,29)
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Celltech R&D

Curated by ChEMBL


Assay Description
Compound binding was evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human C-X-C chem...


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102216
PNG
(6-Ethanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-nicotin...)
Show SMILES CCS(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H13FN2O4S/c1-2-22(20,21)13-8-3-10(9-17(13)19)14(18)16-12-6-4-11(15)5-7-12/h3-9H,2H2,1H3,(H,16,18)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102219
PNG
(CHEMBL61835 | N-(4-Fluoro-phenyl)-6-methanesulfony...)
Show SMILES CS(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C13H11FN2O4S/c1-21(19,20)12-7-2-9(8-16(12)18)13(17)15-11-5-3-10(14)4-6-11/h2-8H,1H3,(H,15,17)
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n/an/a 130n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102226
PNG
(CHEMBL58619 | N-(4-Fluoro-phenyl)-1-oxy-6-phenylme...)
Show SMILES [O-][n+]1cc(ccc1S(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15FN2O4S/c20-16-7-9-17(10-8-16)21-19(23)15-6-11-18(22(24)12-15)27(25,26)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,23)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102218
PNG
(CHEMBL61655 | N-(4-Fluoro-phenyl)-1-oxy-6-(propane...)
Show SMILES CC(C)S(=O)(=O)c1ccc(c[n+]1[O-])C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H15FN2O4S/c1-10(2)23(21,22)14-8-3-11(9-18(14)20)15(19)17-13-6-4-12(16)5-7-13/h3-10H,1-2H3,(H,17,19)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102230
PNG
(6-Cyclopentanesulfonyl-N-(4-fluoro-phenyl)-1-oxy-n...)
Show SMILES [O-][n+]1cc(ccc1S(=O)(=O)C1CCCC1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H17FN2O4S/c18-13-6-8-14(9-7-13)19-17(21)12-5-10-16(20(22)11-12)25(23,24)15-3-1-2-4-15/h5-11,15H,1-4H2,(H,19,21)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102221
PNG
(6-Chloro-N-(4-fluoro-phenyl)-1-oxy-nicotinamide | ...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C12H8ClFN2O2/c13-11-6-1-8(7-16(11)18)12(17)15-10-4-2-9(14)3-5-10/h1-7H,(H,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102227
PNG
(6-Chloro-N-cyclohexyl-1-oxy-nicotinamide | CHEMBL6...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C12H15ClN2O2/c13-11-7-6-9(8-15(11)17)12(16)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,16)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102214
PNG
(6-Chloro-N-(4-fluoro-benzyl)-1-oxy-nicotinamide | ...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C13H10ClFN2O2/c14-12-6-3-10(8-17(12)19)13(18)16-7-9-1-4-11(15)5-2-9/h1-6,8H,7H2,(H,16,18)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102220
PNG
(CHEMBL293139 | N-(4-tert-Butyl-phenyl)-6-chloro-1-...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)cc1
Show InChI InChI=1S/C16H17ClN2O2/c1-16(2,3)12-5-7-13(8-6-12)18-15(20)11-4-9-14(17)19(21)10-11/h4-10H,1-3H3,(H,18,20)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102215
PNG
(6-Chloro-N-(2-hydroxy-phenyl)-1-oxy-nicotinamide |...)
Show SMILES Oc1ccccc1NC(=O)c1ccc(Cl)[n+]([O-])c1
Show InChI InChI=1S/C12H9ClN2O3/c13-11-6-5-8(7-15(11)18)12(17)14-9-3-1-2-4-10(9)16/h1-7,16H,(H,14,17)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102224
PNG
(6-Chloro-N-(4-iodo-phenyl)-1-oxy-nicotinamide | CH...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)Nc1ccc(I)cc1
Show InChI InChI=1S/C12H8ClIN2O2/c13-11-6-1-8(7-16(11)18)12(17)15-10-4-2-9(14)3-5-10/h1-7H,(H,15,17)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102228
PNG
(CHEMBL60578 | N-Benzhydryl-6-chloro-1-oxy-nicotina...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-12-11-16(13-22(17)24)19(23)21-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,21,23)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102223
PNG
(6-Chloro-N-(4-methoxy-phenyl)-1-oxy-nicotinamide |...)
Show SMILES COc1ccc(NC(=O)c2ccc(Cl)[n+]([O-])c2)cc1
Show InChI InChI=1S/C13H11ClN2O3/c1-19-11-5-3-10(4-6-11)15-13(17)9-2-7-12(14)16(18)8-9/h2-8H,1H3,(H,15,17)
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Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%