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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50045498   
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
C-X-C chemokine receptor type 2


(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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065327
PNG
(CHEMBL3403851)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/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-/m1/s1
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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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065326
PNG
(CHEMBL3403850)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/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-/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065330
PNG
(CHEMBL3403854)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/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-/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065331
PNG
(CHEMBL3403855)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCOCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/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-/m1/s1
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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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065324
PNG
(CHEMBL3403848)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/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-/m1/s1
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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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065328
PNG
(CHEMBL3403852)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/C18H23F2N5O3S2/c1-12(10-26)21-15-9-16(24-30(27,28)25-7-2-3-8-25)23-18(22-15)29-11-13-5-4-6-14(19)17(13)20/h4-6,9,12,26H,2-3,7-8,10-11H2,1H3,(H2,21,22,23,24)/t12-/m1/s1
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n/an/a 7.90n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065329
PNG
(CHEMBL3403853)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCCC2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/C19H25F2N5O3S2/c1-13(11-27)22-16-10-17(25-31(28,29)26-8-3-2-4-9-26)24-19(23-16)30-12-14-6-5-7-15(20)18(14)21/h5-7,10,13,27H,2-4,8-9,11-12H2,1H3,(H2,22,23,24,25)/t13-/m1/s1
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n/an/a 7.90n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065325
PNG
(CHEMBL3403849)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/C18H24ClFN6O3S2/c1-12(10-27)22-15-9-16(25-31(28,29)26-7-5-21-6-8-26)24-18(23-15)30-11-13-3-2-4-14(19)17(13)20/h2-4,9,12,21,27H,5-8,10-11H2,1H3,(H2,22,23,24,25)/t12-/m1/s1
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n/an/a 7.90n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065267
PNG
(CHEMBL3403840)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)C(F)(F)F)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C15H17F3N4O3S2/c1-10(8-23)19-12-7-13(22-27(24,25)15(16,17)18)21-14(20-12)26-9-11-5-3-2-4-6-11/h2-7,10,23H,8-9H2,1H3,(H2,19,20,21,22)/t10-/m1/s1
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n/an/a 10n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065323
PNG
(CHEMBL3403847)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2cn(C)cn2)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/C18H20ClFN6O3S2/c1-11(8-27)22-14-6-15(25-31(28,29)16-7-26(2)10-21-16)24-18(23-14)30-9-12-4-3-5-13(19)17(12)20/h3-7,10-11,27H,8-9H2,1-2H3,(H2,22,23,24,25)/t11-/m1/s1
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n/an/a 13n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065256
PNG
(CHEMBL3403835)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(Cl)c2F)n1 |r|
Show InChI InChI=1S/C15H18ClFN4O3S2/c1-9(7-22)18-12-6-13(21-26(2,23)24)20-15(19-12)25-8-10-4-3-5-11(16)14(10)17/h3-6,9,22H,7-8H2,1-2H3,(H2,18,19,20,21)/t9-/m1/s1
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n/an/a 13n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065270
PNG
(CHEMBL3403843)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(cc2)C#N)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C21H21N5O3S2/c1-15(13-27)23-19-11-20(25-21(24-19)30-14-17-5-3-2-4-6-17)26-31(28,29)18-9-7-16(12-22)8-10-18/h2-11,15,27H,13-14H2,1H3,(H2,23,24,25,26)/t15-/m1/s1
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n/an/a 25n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065254
PNG
(CHEMBL3403834)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/C15H18F2N4O3S2/c1-9(7-22)18-12-6-13(21-26(2,23)24)20-15(19-12)25-8-10-4-3-5-11(16)14(10)17/h3-6,9,22H,7-8H2,1-2H3,(H2,18,19,20,21)/t9-/m1/s1
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n/an/a 32n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065322
PNG
(CHEMBL3403846)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2cn(C)cn2)nc(SCc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/C18H20F2N6O3S2/c1-11(8-27)22-14-6-15(25-31(28,29)16-7-26(2)10-21-16)24-18(23-14)30-9-12-4-3-5-13(19)17(12)20/h3-7,10-11,27H,8-9H2,1-2H3,(H2,22,23,24,25)/t11-/m1/s1
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n/an/a 32n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065269
PNG
(CHEMBL3403842)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C20H21ClN4O3S2/c1-14(12-26)22-18-11-19(25-30(27,28)17-9-7-16(21)8-10-17)24-20(23-18)29-13-15-5-3-2-4-6-15/h2-11,14,26H,12-13H2,1H3,(H2,22,23,24,25)/t14-/m1/s1
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n/an/a 32n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065266
PNG
(CHEMBL3403839)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)Cc2ccccc2)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C21H24N4O3S2/c1-16(13-26)22-19-12-20(25-30(27,28)15-18-10-6-3-7-11-18)24-21(23-19)29-14-17-8-4-2-5-9-17/h2-12,16,26H,13-15H2,1H3,(H2,22,23,24,25)/t16-/m1/s1
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n/an/a 50n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065321
PNG
(CHEMBL3403845)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)N(C)C)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C16H23N5O3S2/c1-12(10-22)17-14-9-15(20-26(23,24)21(2)3)19-16(18-14)25-11-13-7-5-4-6-8-13/h4-9,12,22H,10-11H2,1-3H3,(H2,17,18,19,20)/t12-/m1/s1
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n/an/a 63n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065248
PNG
(CHEMBL3403830)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C15H20N4O3S2/c1-11(9-20)16-13-8-14(19-24(2,21)22)18-15(17-13)23-10-12-6-4-3-5-7-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,18,19)/t11-/m1/s1
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n/an/a 79n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065268
PNG
(CHEMBL3403841)
Show SMILES C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C20H22N4O3S2/c1-15(13-25)21-18-12-19(24-29(26,27)17-10-6-3-7-11-17)23-20(22-18)28-14-16-8-4-2-5-9-16/h2-12,15,25H,13-14H2,1H3,(H2,21,22,23,24)/t15-/m1/s1
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n/an/a 79n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065263
PNG
(CHEMBL3403836)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(Cl)c2Cl)n1 |r|
Show InChI InChI=1S/C15H18Cl2N4O3S2/c1-9(7-22)18-12-6-13(21-26(2,23)24)20-15(19-12)25-8-10-4-3-5-11(16)14(10)17/h3-6,9,22H,7-8H2,1-2H3,(H2,18,19,20,21)/t9-/m1/s1
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n/an/a 158n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065265
PNG
(CHEMBL3403838)
Show SMILES CCCS(=O)(=O)Nc1cc(N[C@H](C)CO)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C17H24N4O3S2/c1-3-9-26(23,24)21-16-10-15(18-13(2)11-22)19-17(20-16)25-12-14-7-5-4-6-8-14/h4-8,10,13,22H,3,9,11-12H2,1-2H3,(H2,18,19,20,21)/t13-/m1/s1
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n/an/a 158n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065246
PNG
(CHEMBL3403828)
Show SMILES C[C@H](CO)Nc1cc(nc(SCc2ccccc2)n1)C(O)=O |r|
Show InChI InChI=1S/C15H17N3O3S/c1-10(8-19)16-13-7-12(14(20)21)17-15(18-13)22-9-11-5-3-2-4-6-11/h2-7,10,19H,8-9H2,1H3,(H,20,21)(H,16,17,18)/t10-/m1/s1
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n/an/a 398n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065251
PNG
(CHEMBL3403833)
Show SMILES CC[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C16H22N4O3S2/c1-3-13(10-21)17-14-9-15(20-25(2,22)23)19-16(18-14)24-11-12-7-5-4-6-8-12/h4-9,13,21H,3,10-11H2,1-2H3,(H2,17,18,19,20)/t13-/m1/s1
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n/an/a 398n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065264
PNG
(CHEMBL3403837)
Show SMILES C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCCOc2cccc(F)c2F)n1 |r|
Show InChI InChI=1S/C16H20F2N4O4S2/c1-10(9-23)19-13-8-14(22-28(2,24)25)21-16(20-13)27-7-6-26-12-5-3-4-11(17)15(12)18/h3-5,8,10,23H,6-7,9H2,1-2H3,(H2,19,20,21,22)/t10-/m1/s1
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n/an/a 631n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065247
PNG
(CHEMBL3403829)
Show SMILES C[C@H](CO)Nc1cc(nc(SCc2ccccc2)n1)C(=O)NS(C)(=O)=O |r|
Show InChI InChI=1S/C16H20N4O4S2/c1-11(9-21)17-14-8-13(15(22)20-26(2,23)24)18-16(19-14)25-10-12-6-4-3-5-7-12/h3-8,11,21H,9-10H2,1-2H3,(H,20,22)(H,17,18,19)/t11-/m1/s1
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n/an/a 794n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065250
PNG
(CHEMBL3403832)
Show SMILES CS(=O)(=O)Nc1cc(NCCO)nc(SCc2ccccc2)n1
Show InChI InChI=1S/C14H18N4O3S2/c1-23(20,21)18-13-9-12(15-7-8-19)16-14(17-13)22-10-11-5-3-2-4-6-11/h2-6,9,19H,7-8,10H2,1H3,(H2,15,16,17,18)
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n/an/a 3.16E+3n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065249
PNG
(CHEMBL3403831)
Show SMILES C[C@H](O)CNc1cc(NS(C)(=O)=O)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C15H20N4O3S2/c1-11(20)9-16-13-8-14(19-24(2,21)22)18-15(17-13)23-10-12-6-4-3-5-7-12/h3-8,11,20H,9-10H2,1-2H3,(H2,16,17,18,19)/t11-/m0/s1
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n/an/a 7.94E+3n/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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50065320
PNG
(CHEMBL3403844)
Show SMILES C[C@H](CO)Nc1cc(NS(N)(=O)=O)nc(SCc2ccccc2)n1 |r|
Show InChI InChI=1S/C14H19N5O3S2/c1-10(8-20)16-12-7-13(19-24(15,21)22)18-14(17-12)23-9-11-5-3-2-4-6-11/h2-7,10,20H,8-9H2,1H3,(H2,15,21,22)(H2,16,17,18,19)/t10-/m1/s1
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n/an/a<1.00E+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


Bioorg Med Chem Lett 25: 1616-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.067
BindingDB Entry DOI: 10.7270/Q2F47QT4
More data for this
Ligand-Target Pair