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PubMed code 18240390

Compile data set for download or QSAR
Found 27 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))
BDBM50371789
PNG
(CHEMBL256668)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)cnc12
Show InChI InChI=1S/C16H15F2N5O2S/c1-8(6-24)20-14-13-15(21-11(25)5-19-13)23-16(22-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,24H,6-7H2,1H3,(H2,20,21,22,23,25)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371784
PNG
(CHEMBL446458)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(F)c2F)nc2nc(=O)sc12
Show InChI InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371773
PNG
(CHEMBL403225)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2cccc(Cl)c2F)nc2nc(=O)sc12
Show InChI InChI=1S/C15H14ClFN4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371787
PNG
(CHEMBL272105)
Show SMILES COC(=O)c1nc2c(N[C@H](C)CO)nc(SCc3cccc(F)c3F)nc2[nH]c1=O
Show InChI InChI=1S/C18H17F2N5O4S/c1-8(6-26)21-14-12-15(23-16(27)13(22-12)17(28)29-2)25-18(24-14)30-7-9-4-3-5-10(19)11(9)20/h3-5,8,26H,6-7H2,1-2H3,(H2,21,23,24,25,27)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371771
PNG
(CHEMBL271012)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2F)nc2nc(=O)sc12
Show InChI InChI=1S/C15H15FN4O2S2/c1-8(6-21)17-12-11-13(20-15(22)24-11)19-14(18-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,21H,6-7H2,1H3,(H2,17,18,19,20,22)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371774
PNG
(CHEMBL429791)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(Cl)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H15ClFN5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371783
PNG
(CHEMBL397237)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H15F2N5OS2/c1-7(5-23)19-12-11-13(20-14(18)25-11)22-15(21-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,23H,5-6H2,1H3,(H3,18,19,20,21,22)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371777
PNG
(CHEMBL272705)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccco2)[nH]c2nc(=O)sc12
Show InChI InChI=1S/C13H14N4O3S2/c1-7(5-18)14-10-9-11(17-13(19)22-9)16-12(15-10)21-6-8-3-2-4-20-8/h2-4,7,18H,5-6H2,1H3,(H2,14,15,16,17,19)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371769
PNG
(CHEMBL402986)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12
Show InChI InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371790
PNG
(CHEMBL429682)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NS(C)(=O)=O)sc12
Show InChI InChI=1S/C16H17F2N5O3S3/c1-8(6-24)19-13-12-14(22-16(28-12)23-29(2,25)26)21-15(20-13)27-7-9-4-3-5-10(17)11(9)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371793
PNG
(CHEMBL271703)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)cnc12
Show InChI InChI=1S/C16H16F2N6OS/c1-8(6-25)21-14-13-15(22-11(19)5-20-13)24-16(23-14)26-7-9-3-2-4-10(17)12(9)18/h2-5,8,25H,6-7H2,1H3,(H3,19,21,22,23,24)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371772
PNG
(CHEMBL232846)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2F)nc2nc(N)sc12
Show InChI InChI=1S/C15H16FN5OS2/c1-8(6-22)18-12-11-13(19-14(17)24-11)21-15(20-12)23-7-9-4-2-3-5-10(9)16/h2-5,8,22H,6-7H2,1H3,(H3,17,18,19,20,21)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371795
PNG
(CHEMBL257006)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)[nH]c12
Show InChI InChI=1S/C15H16F2N6OS/c1-7(5-24)19-12-11-13(21-14(18)20-11)23-15(22-12)25-6-8-3-2-4-9(16)10(8)17/h2-4,7,24H,5-6H2,1H3,(H4,18,19,20,21,22,23)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371770
PNG
(CHEMBL271013)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C15H17N5OS2/c1-9(7-21)17-12-11-13(18-14(16)23-11)20-15(19-12)22-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20)/t9-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371780
PNG
(CHEMBL403656)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(cc12)C#N
Show InChI InChI=1S/C18H15F2N5O2S/c1-9(7-26)22-15-12-5-11(6-21)17(27)23-16(12)25-18(24-15)28-8-10-3-2-4-13(19)14(10)20/h2-5,9,26H,7-8H2,1H3,(H2,22,23,24,25,27)/t9-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371778
PNG
(CHEMBL233263)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12
Show InChI InChI=1S/C13H15N5O2S2/c1-7(5-19)15-10-9-11(16-12(14)22-9)18-13(17-10)21-6-8-3-2-4-20-8/h2-4,7,19H,5-6H2,1H3,(H3,14,15,16,17,18)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371786
PNG
(CHEMBL403877)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C16H15F2N5O3S/c1-7(5-24)19-12-11-13(21-15(26)14(25)20-11)23-16(22-12)27-6-8-3-2-4-9(17)10(8)18/h2-4,7,24H,5-6H2,1H3,(H,20,25)(H2,19,21,22,23,26)/t7-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371775
PNG
(CHEMBL402728)
Show SMILES C[C@H](CO)Nc1[nH]c(SCc2csc(C)n2)nc2nc(=O)sc12
Show InChI InChI=1S/C13H15N5O2S3/c1-6(3-19)14-10-9-11(18-13(20)23-9)17-12(16-10)22-5-8-4-21-7(2)15-8/h4,6,19H,3,5H2,1-2H3,(H2,14,16,17,18,20)/t6-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371776
PNG
(CHEMBL390191)
Show SMILES C[C@H](CO)Nc1nc(SCc2csc(C)n2)nc2nc(N)sc12
Show InChI InChI=1S/C13H16N6OS3/c1-6(3-20)15-10-9-11(17-12(14)23-9)19-13(18-10)22-5-8-4-21-7(2)16-8/h4,6,20H,3,5H2,1-2H3,(H3,14,15,17,18,19)/t6-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371792
PNG
(CHEMBL403702)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2ncc(C)nc12
Show InChI InChI=1S/C17H17F2N5OS/c1-9-6-20-15-14(21-9)16(22-10(2)7-25)24-17(23-15)26-8-11-4-3-5-12(18)13(11)19/h3-6,10,25H,7-8H2,1-2H3,(H,20,22,23,24)/t10-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371779
PNG
(CHEMBL257025)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2n[nH]cc12
Show InChI InChI=1S/C15H15F2N5OS/c1-8(6-23)19-13-10-5-18-22-14(10)21-15(20-13)24-7-9-3-2-4-11(16)12(9)17/h2-5,8,23H,6-7H2,1H3,(H2,18,19,20,21,22)/t8-/m1/s1
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AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371791
PNG
(CHEMBL404057)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nccnc12
Show InChI InChI=1S/C16H15F2N5OS/c1-9(7-24)21-15-13-14(20-6-5-19-13)22-16(23-15)25-8-10-3-2-4-11(17)12(10)18/h2-6,9,24H,7-8H2,1H3,(H,20,21,22,23)/t9-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371782
PNG
(CHEMBL257659)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(C)cnc12
Show InChI InChI=1S/C17H17F2N5OS/c1-9-6-20-14-15(21-9)23-17(24-16(14)22-10(2)7-25)26-8-11-4-3-5-12(18)13(11)19/h3-6,10,25H,7-8H2,1-2H3,(H,21,22,23,24)/t10-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371788
PNG
(CHEMBL257269)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)ccc12
Show InChI InChI=1S/C17H16F2N4O2S/c1-9(7-24)20-15-11-5-6-13(25)21-16(11)23-17(22-15)26-8-10-3-2-4-12(18)14(10)19/h2-6,9,24H,7-8H2,1H3,(H2,20,21,22,23,25)/t9-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371794
PNG
(CHEMBL270446)
Show SMILES C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(C)[nH]c12
Show InChI InChI=1S/C16H17F2N5OS/c1-8(6-24)19-14-13-15(21-9(2)20-13)23-16(22-14)25-7-10-4-3-5-11(17)12(10)18/h3-5,8,24H,6-7H2,1-2H3,(H2,19,20,21,22,23)/t8-/m1/s1
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n/an/a 630n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371781
PNG
(CHEMBL258334)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2sc(N)nc12
Show InChI InChI=1S/C15H17N5OS2/c1-9(7-21)17-12-11-13(23-14(16)18-11)20-15(19-12)22-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H2,16,18)(H,17,19,20)/t9-/m1/s1
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PC sid
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n/an/a 850n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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


(Homo sapiens (Human))
BDBM50371785
PNG
(CHEMBL257027)
Show SMILES C[C@H](CO)Nc1nc(SCc2ccccc2)nc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C15H17N5O2S/c1-9(7-21)16-12-11-13(18-14(22)17-11)20-15(19-12)23-8-10-5-3-2-4-6-10/h2-6,9,21H,7-8H2,1H3,(H3,16,17,18,19,20,22)/t9-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay


Bioorg Med Chem Lett 18: 798-803 (2008)

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