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PubMed code 25455491

Compile data set for download or QSAR
Found 32 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))
BDBM50036798
PNG
(CHEMBL3355235)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C(C)(C)C)c1O
Show InChI InChI=1S/C17H22ClN3O4S/c1-9(2)26(24,25)15-10(18)6-7-11(14(15)23)19-16-20-12(17(3,4)5)8-13(22)21-16/h6-9,23H,1-5H3,(H2,19,20,21,22)
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036804
PNG
(CHEMBL3355240)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2(C)CCC2)c1O
Show InChI InChI=1S/C18H22ClN3O4S/c1-10(2)27(25,26)16-11(19)5-6-12(15(16)24)20-17-21-13(9-14(23)22-17)18(3)7-4-8-18/h5-6,9-10,24H,4,7-8H2,1-3H3,(H2,20,21,22,23)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036800
PNG
(CHEMBL3355237)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2CCC2)c1O
Show InChI InChI=1S/C17H20ClN3O4S/c1-9(2)26(24,25)16-11(18)6-7-12(15(16)23)19-17-20-13(8-14(22)21-17)10-4-3-5-10/h6-10,23H,3-5H2,1-2H3,(H2,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036801
PNG
(CHEMBL3355238)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2CCCC2)c1O
Show InChI InChI=1S/C18H22ClN3O4S/c1-10(2)27(25,26)17-12(19)7-8-13(16(17)24)20-18-21-14(9-15(23)22-18)11-5-3-4-6-11/h7-11,24H,3-6H2,1-2H3,(H2,20,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036876
PNG
(CHEMBL3355247)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c(F)c([nH]2)C(C)(C)C)c1O
Show InChI InChI=1S/C17H21ClFN3O4S/c1-8(2)27(25,26)13-9(18)6-7-10(12(13)23)20-16-21-14(17(3,4)5)11(19)15(24)22-16/h6-8,23H,1-5H3,(H2,20,21,22,24)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036803
PNG
(CHEMBL3355239)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2CCCC2C)c1O
Show InChI InChI=1/C19H24ClN3O4S/c1-10(2)28(26,27)18-13(20)7-8-14(17(18)25)21-19-22-15(9-16(24)23-19)12-6-4-5-11(12)3/h7-12,25H,4-6H2,1-3H3,(H2,21,22,23,24)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036877
PNG
(CHEMBL3355248)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c(F)c([nH]2)C2CCC2)c1O
Show InChI InChI=1S/C17H19ClFN3O4S/c1-8(2)27(25,26)15-10(18)6-7-11(14(15)23)20-17-21-13(9-4-3-5-9)12(19)16(24)22-17/h6-9,23H,3-5H2,1-2H3,(H2,20,21,22,24)
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n/an/a 50n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036808
PNG
(CHEMBL3355242)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C(C)(C)C(F)(F)F)c1O
Show InChI InChI=1S/C17H19ClF3N3O4S/c1-8(2)29(27,28)14-9(18)5-6-10(13(14)26)22-15-23-11(7-12(25)24-15)16(3,4)17(19,20)21/h5-8,26H,1-4H3,(H2,22,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036809
PNG
(CHEMBL3355243)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C(C)(C)F)c1O
Show InChI InChI=1S/C16H19ClFN3O4S/c1-8(2)26(24,25)14-9(17)5-6-10(13(14)23)19-15-20-11(16(3,4)18)7-12(22)21-15/h5-8,23H,1-4H3,(H2,19,20,21,22)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036796
PNG
(CHEMBL3355234)
Show SMILES CC(C)Cc1cc(=O)nc(Nc2ccc(Cl)c(c2O)S(=O)(=O)C(C)C)[nH]1
Show InChI InChI=1S/C17H22ClN3O4S/c1-9(2)7-11-8-14(22)21-17(19-11)20-13-6-5-12(18)16(15(13)23)26(24,25)10(3)4/h5-6,8-10,23H,7H2,1-4H3,(H2,19,20,21,22)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036807
PNG
(CHEMBL3355241)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C(C)(C)CF)c1O
Show InChI InChI=1S/C17H21ClFN3O4S/c1-9(2)27(25,26)15-10(18)5-6-11(14(15)24)20-16-21-12(7-13(23)22-16)17(3,4)8-19/h5-7,9,24H,8H2,1-4H3,(H2,20,21,22,23)
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036795
PNG
(CHEMBL3354834)
Show SMILES CCCc1cc(=O)nc(Nc2ccc(Cl)c(c2O)S(=O)(=O)C(C)C)[nH]1
Show InChI InChI=1S/C16H20ClN3O4S/c1-4-5-10-8-13(21)20-16(18-10)19-12-7-6-11(17)15(14(12)22)25(23,24)9(2)3/h6-9,22H,4-5H2,1-3H3,(H2,18,19,20,21)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036878
PNG
(CHEMBL3355249)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c(C)c([nH]2)C(C)(C)C)c1O
Show InChI InChI=1S/C18H24ClN3O4S/c1-9(2)27(25,26)14-11(19)7-8-12(13(14)23)20-17-21-15(18(4,5)6)10(3)16(24)22-17/h7-9,23H,1-6H3,(H2,20,21,22,24)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036792
PNG
(CHEMBL3354833)
Show SMILES CCc1cc(=O)nc(Nc2ccc(Cl)c(c2O)S(=O)(=O)C(C)C)[nH]1
Show InChI InChI=1S/C15H18ClN3O4S/c1-4-9-7-12(20)19-15(17-9)18-11-6-5-10(16)14(13(11)21)24(22,23)8(2)3/h5-8,21H,4H2,1-3H3,(H2,17,18,19,20)
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n/an/a 251n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036747
PNG
(CHEMBL3354824)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c3CCCCc3[nH]2)c1O
Show InChI InChI=1S/C17H20ClN3O4S/c1-9(2)26(24,25)15-11(18)7-8-13(14(15)22)20-17-19-12-6-4-3-5-10(12)16(23)21-17/h7-9,22H,3-6H2,1-2H3,(H2,19,20,21,23)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036789
PNG
(CHEMBL3354831)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc(Cc3ccccc3)[nH]2)c1O
Show InChI InChI=1S/C20H20ClN3O4S/c1-12(2)29(27,28)19-15(21)8-9-16(18(19)26)23-20-22-14(11-17(25)24-20)10-13-6-4-3-5-7-13/h3-9,11-12,26H,10H2,1-2H3,(H2,22,23,24,25)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036799
PNG
(CHEMBL3355236)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2CC2)c1O
Show InChI InChI=1S/C16H18ClN3O4S/c1-8(2)25(23,24)15-10(17)5-6-11(14(15)22)18-16-19-12(9-3-4-9)7-13(21)20-16/h5-9,22H,3-4H2,1-2H3,(H2,18,19,20,21)
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
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 |r|
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 450n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human whole blood by CD11b assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036746
PNG
(CHEMBL3354823)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c3cccc(Cl)c3[nH]2)c1O
Show InChI InChI=1S/C17H15Cl2N3O4S/c1-8(2)27(25,26)15-11(19)6-7-12(14(15)23)20-17-21-13-9(16(24)22-17)4-3-5-10(13)18/h3-8,23H,1-2H3,(H2,20,21,22,24)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036798
PNG
(CHEMBL3355235)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C(C)(C)C)c1O
Show InChI InChI=1S/C17H22ClN3O4S/c1-9(2)26(24,25)15-10(18)6-7-11(14(15)23)19-16-20-12(17(3,4)5)8-13(22)21-16/h6-9,23H,1-5H3,(H2,19,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human whole blood by CD11b assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036752
PNG
(CHEMBL3354827)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C19H18ClN3O4S/c1-11(2)28(26,27)18-13(20)8-9-14(17(18)25)21-19-22-15(10-16(24)23-19)12-6-4-3-5-7-12/h3-11,25H,1-2H3,(H2,21,22,23,24)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036879
PNG
(CHEMBL3355250)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c(C)c([nH]2)C2CCCC2)c1O
Show InChI InChI=1S/C19H24ClN3O4S/c1-10(2)28(26,27)17-13(20)8-9-14(16(17)24)21-19-22-15(11(3)18(25)23-19)12-6-4-5-7-12/h8-10,12,24H,4-7H2,1-3H3,(H2,21,22,23,25)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036810
PNG
(CHEMBL3355244)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2CC(F)(F)C2)c1O
Show InChI InChI=1S/C17H18ClF2N3O4S/c1-8(2)28(26,27)15-10(18)3-4-11(14(15)25)21-16-22-12(5-13(24)23-16)9-6-17(19,20)7-9/h3-5,8-9,25H,6-7H2,1-2H3,(H2,21,22,23,24)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036753
PNG
(CHEMBL3354828)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)-c2ccccc2Cl)c1O
Show InChI InChI=1S/C19H17Cl2N3O4S/c1-10(2)29(27,28)18-13(21)7-8-14(17(18)26)22-19-23-15(9-16(25)24-19)11-5-3-4-6-12(11)20/h3-10,26H,1-2H3,(H2,22,23,24,25)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036745
PNG
(CHEMBL3354822)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c3ccccc3[nH]2)c1O
Show InChI InChI=1S/C17H16ClN3O4S/c1-9(2)26(24,25)15-11(18)7-8-13(14(15)22)20-17-19-12-6-4-3-5-10(12)16(23)21-17/h3-9,22H,1-2H3,(H2,19,20,21,23)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036786
PNG
(CHEMBL3354829)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)-c2ccco2)c1O
Show InChI InChI=1S/C17H16ClN3O5S/c1-9(2)27(24,25)16-10(18)5-6-11(15(16)23)19-17-20-12(8-14(22)21-17)13-4-3-7-26-13/h3-9,23H,1-2H3,(H2,19,20,21,22)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036748
PNG
(CHEMBL3354825)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c3CCCc3[nH]2)c1O
Show InChI InChI=1S/C16H18ClN3O4S/c1-8(2)25(23,24)14-10(17)6-7-12(13(14)21)19-16-18-11-5-3-4-9(11)15(22)20-16/h6-8,21H,3-5H2,1-2H3,(H2,18,19,20,22)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036811
PNG
(CHEMBL3355245)
Show SMILES COCc1cc(=O)nc(Nc2ccc(Cl)c(c2O)S(=O)(=O)C(C)C)[nH]1
Show InChI InChI=1S/C15H18ClN3O5S/c1-8(2)25(22,23)14-10(16)4-5-11(13(14)21)18-15-17-9(7-24-3)6-12(20)19-15/h4-6,8,21H,7H2,1-3H3,(H2,17,18,19,20)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036788
PNG
(CHEMBL3354830)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)-c2cccn2C)c1O
Show InChI InChI=1S/C18H19ClN4O4S/c1-10(2)28(26,27)17-11(19)6-7-12(16(17)25)20-18-21-13(9-15(24)22-18)14-5-4-8-23(14)3/h4-10,25H,1-3H3,(H2,20,21,22,24)
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n/an/a 2.51E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036875
PNG
(CHEMBL3355246)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc([nH]2)C2CCOCC2)c1O
Show InChI InChI=1S/C18H22ClN3O5S/c1-10(2)28(25,26)17-12(19)3-4-13(16(17)24)20-18-21-14(9-15(23)22-18)11-5-7-27-8-6-11/h3-4,9-11,24H,5-8H2,1-2H3,(H2,20,21,22,23)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036791
PNG
(CHEMBL3354832)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)cc(C)[nH]2)c1O
Show InChI InChI=1S/C14H16ClN3O4S/c1-7(2)23(21,22)13-9(15)4-5-10(12(13)20)17-14-16-8(3)6-11(19)18-14/h4-7,20H,1-3H3,(H2,16,17,18,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50036751
PNG
(CHEMBL3354826)
Show SMILES CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(=O)c(c[nH]2)-c2ccccc2)c1O
Show InChI InChI=1S/C19H18ClN3O4S/c1-11(2)28(26,27)17-14(20)8-9-15(16(17)24)22-19-21-10-13(18(25)23-19)12-6-4-3-5-7-12/h3-11,24H,1-2H3,(H2,21,22,23,25)
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 (unknown origin) by beta-arrestin assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%