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Compile Data Set for Download or QSAR

Found 1031 hits Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 2'   
Target
(Institution)
LigandTarget
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))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
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n/an/a 0.0490n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Citation and Details
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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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


Citation and Details
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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n/an/a 1n/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))
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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n/an/a 1n/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))
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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n/an/a 1n/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))
BDBM50169045
PNG
((R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propana...)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 assessed as inhibition of CXCL8-induced neutrophil chemotaxis


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


(Homo sapiens (Human))
BDBM50211458
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)C
Show InChI InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2-mediated chemotaxis in Ba/F3 cells expressing human CXCR2


Citation and Details
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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n/an/a 2n/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))
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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n/an/a 2n/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))
BDBM50187007
PNG
(5-chloro-3-(3,4-dioxo-2-(phenylamino)cyclobut-1-en...)
Show SMILES CN(C)C(=O)c1cc(Cl)cc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H16ClN3O4/c1-23(2)19(27)12-8-10(20)9-13(16(12)24)22-15-14(17(25)18(15)26)21-11-6-4-3-5-7-11/h3-9,21-22,24H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells


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


(Homo sapiens (Human))
BDBM50187004
PNG
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H17N3O4/c1-22(2)19(26)12-9-6-10-13(16(12)23)21-15-14(17(24)18(15)25)20-11-7-4-3-5-8-11/h3-10,20-21,23H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells


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


(Homo sapiens (Human))
BDBM50200886
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C20H21N3O5/c1-10-8-9-14(28-10)11(2)21-15-16(19(26)18(15)25)22-13-7-5-6-12(17(13)24)20(27)23(3)4/h5-9,11,21-22,24H,1-4H3/t11-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCL1-induced human neutrophil chemotaxis


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


(Homo sapiens (Human))
BDBM50065327
PNG
(CHEMBL3403851)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(Cl)c2F)n1
Show InChI InChI=1/C17H21ClFN5O3S2/c1-11(9-25)20-14-8-15(23-29(26,27)24-6-3-7-24)22-17(21-14)28-10-12-4-2-5-13(18)16(12)19/h2,4-5,8,11,25H,3,6-7,9-10H2,1H3,(H2,20,21,22,23)/t11-/s2
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


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


(Homo sapiens (Human))
BDBM50233586
PNG
(2-hydroxy-3-(2-(1-(5-(hydroxymethyl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1
Show InChI InChI=1S/C21H23N3O6/c1-4-13(15-9-8-11(10-25)30-15)22-16-17(20(28)19(16)27)23-14-7-5-6-12(18(14)26)21(29)24(2)3/h5-9,13,22-23,25-26H,4,10H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50187002
PNG
(4-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES Oc1cc(ccc1Nc1c(Nc2ccccc2)c(=O)c1=O)C#N
Show InChI InChI=1S/C17H11N3O3/c18-9-10-6-7-12(13(21)8-10)20-15-14(16(22)17(15)23)19-11-4-2-1-3-5-11/h1-8,19-21H
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n/an/a 3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 expressed in CHO cells


Citation and Details
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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n/an/a 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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50233561
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3/t13-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50233560
PNG
(3-(2-(1-(benzofuran-2-yl)propylamino)-3,4-dioxocyc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc2ccccc2o1
Show InChI InChI=1S/C24H23N3O5/c1-4-15(18-12-13-8-5-6-11-17(13)32-18)25-19-20(23(30)22(19)29)26-16-10-7-9-14(21(16)28)24(31)27(2)3/h5-12,15,25-26,28H,4H2,1-3H3
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50200881
PNG
((R)-3-(2-(cyclopropyl(5-methylfuran-2-yl)methylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CC3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H23N3O5/c1-11-7-10-15(30-11)16(12-8-9-12)24-18-17(20(27)21(18)28)23-14-6-4-5-13(19(14)26)22(29)25(2)3/h4-7,10,12,16,23-24,26H,8-9H2,1-3H3/t16-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


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


(Homo sapiens (Human))
BDBM50200882
PNG
((R)-3-(2-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H27N3O5/c1-12-10-11-15(31-12)21(23(2,3)4)25-17-16(19(28)20(17)29)24-14-9-7-8-13(18(14)27)22(30)26(5)6/h7-11,21,24-25,27H,1-6H3/t21-/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


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


(Homo sapiens (Human))
BDBM50200878
PNG
((R)-3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocycl...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1
Show InChI InChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3/t12-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


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


(Homo sapiens (Human))
BDBM50233574
PNG
((R)-3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Citation and Details
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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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50193985
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(F)ccc(N=C(NC#N)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C16H15BrFN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR2 expressed in CHO cells


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


(Homo sapiens (Human))
BDBM50065330
PNG
(CHEMBL3403854)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(F)c2F)n1
Show InChI InChI=1/C18H23F2N5O4S2/c1-12(10-26)21-15-9-16(24-31(27,28)25-5-7-29-8-6-25)23-18(22-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,26H,5-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/s2
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50115227
PNG
(CHEMBL3609018)
Show SMILES OB(O)c1ccc(CN(Cc2ccccc2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H21BFN5O3/c26-20-7-10-21(11-8-20)30-23(32)18-12-28-24(29-13-18)31(15-17-4-2-1-3-5-17)16-22-9-6-19(14-27-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
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n/an/a 4n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


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


(Homo sapiens (Human))
BDBM50065326
PNG
(CHEMBL3403850)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1
Show InChI InChI=1/C17H21F2N5O3S2/c1-11(9-25)20-14-8-15(23-29(26,27)24-6-3-7-24)22-17(21-14)28-10-12-4-2-5-13(18)16(12)19/h2,4-5,8,11,25H,3,6-7,9-10H2,1H3,(H2,20,21,22,23)/t11-/s2
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50236304
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H19BrFN3O3S/c24-16-8-11-21-20(14-16)19(22(27-21)15-6-9-17(25)10-7-15)12-13-26-23(29)28-32(30,31)18-4-2-1-3-5-18/h1-11,14,27H,12-13H2,(H2,26,28,29)
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CXCR2 by calcium flux FLIPR assay


Citation and Details
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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n/an/a 4n/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))
BDBM50233592
PNG
(3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CC)o1
Show InChI InChI=1S/C22H25N3O5/c1-5-12-10-11-16(30-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4/h7-11,14,23-24,26H,5-6H2,1-4H3
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n/an/a 4.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2-mediated chemotaxis in Ba/F3 cells expressing human CXCR2


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


(Homo sapiens (Human))
BDBM50233589
PNG
(3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 4.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Citation and Details
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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n/an/a 4.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis


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


(Homo sapiens (Human))
BDBM50233572
PNG
((R)-3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3/t11-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50233588
PNG
(3-(2-(1-(5-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Br)o1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 4.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50233581
PNG
(3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50200885
PNG
((R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxo...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 by SPA assay


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


(Homo sapiens (Human))
BDBM50200885
PNG
((R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxo...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Pharmacopeia, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR2 by SPA assay


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


(Homo sapiens (Human))
BDBM50200885
PNG
((R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxo...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


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


(Homo sapiens (Human))
BDBM50065324
PNG
(CHEMBL3403848)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2cccc(Cl)c2F)n1
Show InChI InChI=1/C16H21ClFN5O3S2/c1-10(8-24)19-13-7-14(22-28(25,26)23(2)3)21-16(20-13)27-9-11-5-4-6-12(17)15(11)18/h4-7,10,24H,8-9H2,1-3H3,(H2,19,20,21,22)/t10-/s2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50065331
PNG
(CHEMBL3403855)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(Cl)c2F)n1
Show InChI InChI=1/C18H23ClFN5O4S2/c1-12(10-26)21-15-9-16(24-31(27,28)25-5-7-29-8-6-25)23-18(22-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,26H,5-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/s2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]IL-8 from human recombinant CXCR2 receptor expressed in HEK293 cells by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50233577
PNG
(3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


(Homo sapiens (Human))
BDBM50200875
PNG
((R)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)propylamino)...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H23N3O6/c1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3/h5-10,14,24-25,27H,4,11H2,1-3H3/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


Citation and Details
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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n/an/a 5n/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))
BDBM50233563
PNG
(3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocyclobut...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1
Show InChI InChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Citation and Details
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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n/an/a 5n/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
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