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PubMed code 18308567

Compile data set for download or QSAR
Found 44 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))
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


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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n/an/a 5n/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


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236295
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(m...)
Show SMILES CNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-23-29(27,28)25-19(26)4-2-3-16-17-11-13(12-22)5-10-18(17)24-20(16)14-6-8-15(21)9-7-14/h5-11,23-24H,2-4H2,1H3,(H,25,26)
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n/an/a 14n/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


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236312
PNG
(4-(5-cyano-2-(4-fluorophenyl)-6-methyl-1H-indol-3-...)
Show SMILES Cc1cc2[nH]c(c(CCCC(=O)NS(C)(=O)=O)c2cc1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O3S/c1-13-10-19-18(11-15(13)12-23)17(4-3-5-20(26)25-29(2,27)28)21(24-19)14-6-8-16(22)9-7-14/h6-11,24H,3-5H2,1-2H3,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236318
PNG
(4-[5-cyano-2-(4-fluorophenyl)-6-methyl-1H-indol-3-...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2cc(C)c(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN4O3S/c1-14-11-20-19(12-16(14)13-24)18(22(25-20)15-7-9-17(23)10-8-15)5-4-6-21(28)26-31(29,30)27(2)3/h7-12,25H,4-6H2,1-3H3,(H,26,28)
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n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236305
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(me...)
Show SMILES CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
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n/an/a 32n/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


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236317
PNG
(4-[5-cyano-2-(4-fluorophenyl)-6-methoxy-1H-indol-3...)
Show SMILES COc1cc2[nH]c(c(CCCC(=O)NS(=O)(=O)N(C)C)c2cc1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN4O4S/c1-27(2)32(29,30)26-21(28)6-4-5-17-18-11-15(13-24)20(31-3)12-19(18)25-22(17)14-7-9-16(23)10-8-14/h7-12,25H,4-6H2,1-3H3,(H,26,28)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236309
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(et...)
Show SMILES CCS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O3S/c1-2-29(27,28)25-20(26)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,2-5H2,1H3,(H,25,26)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236307
PNG
(CHEMBL257830 | N-(aminosulfonyl)-4-[5-cyano-2-(4-f...)
Show SMILES NS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O3S/c20-14-7-5-13(6-8-14)19-15(2-1-3-18(25)24-28(22,26)27)16-10-12(11-21)4-9-17(16)23-19/h4-10,23H,1-3H2,(H,24,25)(H2,22,26,27)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236303
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(tr...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)C(F)(F)F)C#N
Show InChI InChI=1S/C20H15F4N3O3S/c21-14-7-5-13(6-8-14)19-15(16-10-12(11-25)4-9-17(16)26-19)2-1-3-18(28)27-31(29,30)20(22,23)24/h4-10,26H,1-3H2,(H,27,28)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236305
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(me...)
Show SMILES CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236303
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(tr...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)C(F)(F)F)C#N
Show InChI InChI=1S/C20H15F4N3O3S/c21-14-7-5-13(6-8-14)19-15(16-10-12(11-25)4-9-17(16)26-19)2-1-3-18(28)27-31(29,30)20(22,23)24/h4-10,26H,1-3H2,(H,27,28)
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n/an/a 87n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
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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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236295
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(m...)
Show SMILES CNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-23-29(27,28)25-19(26)4-2-3-16-17-11-13(12-22)5-10-18(17)24-20(16)14-6-8-15(21)9-7-14/h5-11,23-24H,2-4H2,1H3,(H,25,26)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236310
PNG
(1-(2-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1)C#N
Show InChI InChI=1S/C24H19FN4O3S/c25-18-9-7-17(8-10-18)23-20(21-14-16(15-26)6-11-22(21)28-23)12-13-27-24(30)29-33(31,32)19-4-2-1-3-5-19/h1-11,14,28H,12-13H2,(H2,27,29,30)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236308
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(mo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)N1CCOCC1)C#N
Show InChI InChI=1S/C23H23FN4O4S/c24-18-7-5-17(6-8-18)23-19(20-14-16(15-25)4-9-21(20)26-23)2-1-3-22(29)27-33(30,31)28-10-12-32-13-11-28/h4-9,14,26H,1-3,10-13H2,(H,27,29)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236316
PNG
(4-(5-cyano-2-(4-fluorophenyl)-6-methoxy-1H-indol-3...)
Show SMILES COc1cc2[nH]c(c(CCCC(=O)NS(C)(=O)=O)c2cc1C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O4S/c1-29-19-11-18-17(10-14(19)12-23)16(4-3-5-20(26)25-30(2,27)28)21(24-18)13-6-8-15(22)9-7-13/h6-11,24H,3-5H2,1-2H3,(H,25,26)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236311
PNG
(4-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(me...)
Show SMILES CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H18BrFN2O3S/c1-27(25,26)23-18(24)4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)12-5-8-14(21)9-6-12/h5-11,22H,2-4H2,1H3,(H,23,24)
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n/an/a 170n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236314
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(is...)
Show SMILES CC(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FN3O3S/c1-14(2)30(28,29)26-21(27)5-3-4-18-19-12-15(13-24)6-11-20(19)25-22(18)16-7-9-17(23)10-8-16/h6-12,14,25H,3-5H2,1-2H3,(H,26,27)
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n/an/a 220n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236302
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2...)
Show SMILES COCCNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN4O4S/c1-31-12-11-25-32(29,30)27-21(28)4-2-3-18-19-13-15(14-24)5-10-20(19)26-22(18)16-6-8-17(23)9-7-16/h5-10,13,25-26H,2-4,11-12H2,1H3,(H,27,28)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236300
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(ph...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)c1ccccc1)C#N
Show InChI InChI=1S/C25H20FN3O3S/c26-19-12-10-18(11-13-19)25-21(22-15-17(16-27)9-14-23(22)28-25)7-4-8-24(30)29-33(31,32)20-5-2-1-3-6-20/h1-3,5-6,9-15,28H,4,7-8H2,(H,29,30)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236299
PNG
(1-(2-chlorophenylsulfonyl)-3-(2-(5-cyano-2-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCNC(=O)NS(=O)(=O)c1ccccc1Cl)C#N
Show InChI InChI=1S/C24H18ClFN4O3S/c25-20-3-1-2-4-22(20)34(32,33)30-24(31)28-12-11-18-19-13-15(14-27)5-10-21(19)29-23(18)16-6-8-17(26)9-7-16/h1-10,13,29H,11-12H2,(H2,28,30,31)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236306
PNG
(1-(2-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCNC(=O)NS(=O)(=O)c1ccc(F)cc1)C#N
Show InChI InChI=1S/C24H18F2N4O3S/c25-17-4-2-16(3-5-17)23-20(21-13-15(14-27)1-10-22(21)29-23)11-12-28-24(31)30-34(32,33)19-8-6-18(26)7-9-19/h1-10,13,29H,11-12H2,(H2,28,30,31)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236294
PNG
(1-(2-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN4O3S/c1-28(26,27)24-19(25)22-9-8-15-16-10-12(11-21)2-7-17(16)23-18(15)13-3-5-14(20)6-4-13/h2-7,10,23H,8-9H2,1H3,(H2,22,24,25)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236293
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(ph...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C25H21FN4O3S/c26-19-12-10-18(11-13-19)25-21(22-15-17(16-27)9-14-23(22)28-25)7-4-8-24(31)30-34(32,33)29-20-5-2-1-3-6-20/h1-3,5-6,9-15,28-29H,4,7-8H2,(H,30,31)
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n/an/a 880n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236301
PNG
(CHEMBL258038 | N-(butylsulfamoyl)-4-[5-cyano-2-(4-...)
Show SMILES CCCCNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O3S/c1-2-3-13-26-32(30,31)28-22(29)6-4-5-19-20-14-16(15-25)7-12-21(20)27-23(19)17-8-10-18(24)11-9-17/h7-12,14,26-27H,2-6,13H2,1H3,(H,28,29)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236315
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CCN(CC)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C23H25FN4O3S/c1-3-28(4-2)32(30,31)27-22(29)7-5-6-19-20-14-16(15-25)8-13-21(20)26-23(19)17-9-11-18(24)12-10-17/h8-14,26H,3-7H2,1-2H3,(H,27,29)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236297
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(pr...)
Show SMILES CCCS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FN3O3S/c1-2-12-30(28,29)26-21(27)5-3-4-18-19-13-15(14-24)6-11-20(19)25-22(18)16-7-9-17(23)10-8-16/h6-11,13,25H,2-5,12H2,1H3,(H,26,27)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236295
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(m...)
Show SMILES CNS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-23-29(27,28)25-19(26)4-2-3-16-17-11-13(12-22)5-10-18(17)24-20(16)14-6-8-15(21)9-7-14/h5-11,23-24H,2-4H2,1H3,(H,25,26)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236298
PNG
(CHEMBL404062 | N-(benzylsulfonyl)-4-(5-cyano-2-(4-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)Cc1ccccc1)C#N
Show InChI InChI=1S/C26H22FN3O3S/c27-21-12-10-20(11-13-21)26-22(23-15-19(16-28)9-14-24(23)29-26)7-4-8-25(31)30-34(32,33)17-18-5-2-1-3-6-18/h1-3,5-6,9-15,29H,4,7-8,17H2,(H,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
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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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236313
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-met...)
Show SMILES CN(C(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H20FN3O3S/c1-25(29(2,27)28)20(26)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of europium labeled-human IL8 from human cloned CXCR2 expressed in Sf9 membrane with Galphai3-beta-1-gamma-2 by DELFIA binding assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236305
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(me...)
Show SMILES CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236303
PNG
(4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(tr...)
Show SMILES Fc1ccc(cc1)-c1[nH]c2ccc(cc2c1CCCC(=O)NS(=O)(=O)C(F)(F)F)C#N
Show InChI InChI=1S/C20H15F4N3O3S/c21-14-7-5-13(6-8-14)19-15(16-10-12(11-25)4-9-17(16)26-19)2-1-3-18(28)27-31(29,30)20(22,23)24/h4-10,26H,1-3H2,(H,27,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50236292
PNG
(4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(di...)
Show SMILES CN(C)S(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(cc12)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
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Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Oryctolagus cuniculus)
BDBM50236296
PNG
(1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)eth...)
Show SMILES CS(=O)(=O)NC(=O)NCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit CXCR2 by neutrophil chemotaxis assay


Bioorg Med Chem Lett 18: 1926-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.127
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%