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Compile Data Set for Download or QSAR

Found 549 hits with Last Name = 'fossetta' and Initial = 'j'   
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))
BDBM50227000
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227005
PNG
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1
Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226999
PNG
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
Show InChI InChI=1S/C19H23N5O4S/c1-5-13(15-10-9-11(2)28-15)20-17-18(23-29(27)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-,29?/m1/s1
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3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226995
PNG
(3-[4-((R)-2,2-dimethyl-1-phenyl-propylamino)-1-oxo...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccccc2)C(C)(C)C)c1O
Show InChI InChI=1S/C22H27N5O3S/c1-22(2,3)18(14-10-7-6-8-11-14)24-20-19(25-31(30)26-20)23-16-13-9-12-15(17(16)28)21(29)27(4)5/h6-13,18,28H,1-5H3,(H,23,25)(H,24,26)/t18-,31?/m0/s1
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227003
PNG
(3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227001
PNG
(3-{4-[(R)-2,2-dimethyl-1-(5-methyl-furan-2-yl)-pro...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226996
PNG
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((R)-1-phenyl-pr...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1
Show InChI InChI=1S/C20H23N5O3S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-29(28)23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-,29?/m1/s1
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248084
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1ccc(c(C(=O)N(C)C)c1O)C(F)(F)F)c1ccc(C)o1 |r|
Show InChI InChI=1S/C20H22F3N5O3S/c1-5-12(14-9-6-10(2)31-14)24-17-18(27-32-26-17)25-13-8-7-11(20(21,22)23)15(16(13)29)19(30)28(3)4/h6-9,12,29H,5H2,1-4H3,(H,24,26)(H,25,27)/t12-/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227010
PNG
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1
Show InChI InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227013
PNG
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(4-methyl-3,4-d...)
Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccc2N(C)CCOc2c1 |w:11.12,t:4|
Show InChI InChI=1S/C23H28N6O5S/c1-5-16(14-9-10-18-19(13-14)34-12-11-29(18)4)24-21-22(27-35(32,33)26-21)25-17-8-6-7-15(20(17)30)23(31)28(2)3/h6-10,13,16,30H,5,11-12H2,1-4H3,(H,24,26)(H,25,27)/t16-/m1/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227011
PNG
(3-{4-[(R)-1-(5-chloro-furan-2-yl)-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(Cl)o2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C20H24ClN5O5S/c1-20(2,3)16(13-9-10-14(21)31-13)23-18-17(24-32(29,30)25-18)22-12-8-6-7-11(15(12)27)19(28)26(4)5/h6-10,16,27H,1-5H3,(H,22,24)(H,23,25)/t16-/m0/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226993
PNG
(2-hydroxy-3-{4-[(R)-1-(4-isopropyl-furan-2-yl)-pro...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(co1)C(C)C
Show InChI InChI=1S/C21H27N5O4S/c1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t15-,31?/m1/s1
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9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226997
PNG
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)
Show SMILES CC(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1 |w:12.13,t:5|
Show InChI InChI=1S/C21H24FN5O4S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-32(30,31)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-/m1/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227006
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
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11n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227009
PNG
(3-(4-{[(R)-furan-2-yl-(1-methyl-cyclopropyl)-methy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C2(C)CC2)c1O
Show InChI InChI=1S/C20H23N5O4S/c1-20(9-10-20)16(14-8-5-11-29-14)22-18-17(23-30(28)24-18)21-13-7-4-6-12(15(13)26)19(27)25(2)3/h4-8,11,16,26H,9-10H2,1-3H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
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12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248113
PNG
((R)-N-(2-cyanoethyl)-3-(4-(2,2-dimethyl-1-(5-methy...)
Show SMILES CN(CCC#N)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C23H28N6O3S/c1-14-10-11-17(32-14)19(23(2,3)4)26-21-20(27-33-28-21)25-16-9-6-8-15(18(16)30)22(31)29(5)13-7-12-24/h6,8-11,19,30H,7,13H2,1-5H3,(H,25,27)(H,26,28)/t19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50247950
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 |r|
Show InChI InChI=1S/C19H23N5O3S/c1-5-13(15-10-9-11(2)27-15)20-17-18(23-28-22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-/m1/s1
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248115
PNG
((R)-N-(2-cyanoethyl)-3-(4-(1-(furan-2-yl)-2,2-dime...)
Show SMILES CN(CCC#N)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C22H26N6O3S/c1-22(2,3)18(16-10-6-13-31-16)25-20-19(26-32-27-20)24-15-9-5-8-14(17(15)29)21(30)28(4)12-7-11-23/h5-6,8-10,13,18,29H,7,12H2,1-4H3,(H,24,26)(H,25,27)/t18-/m0/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248038
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C21H27N5O3S/c1-12-10-11-15(29-12)17(21(2,3)4)23-19-18(24-30-25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-/m0/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248082
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)s1 |r|
Show InChI InChI=1S/C20H25N5O2S2/c1-11(2)16(15-10-9-12(3)28-15)22-19-18(23-29-24-19)21-14-8-6-7-13(17(14)26)20(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m1/s1
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227004
PNG
(3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O
Show InChI InChI=1S/C19H19N5O5S/c1-24(2)19(26)12-4-3-5-13(16(12)25)21-18-17(22-30(27)23-18)20-9-11-6-7-14-15(8-11)29-10-28-14/h3-8,25H,9-10H2,1-2H3,(H,20,22)(H,21,23)
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248037
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 |r|
Show InChI InChI=1S/C20H25N5O3S/c1-11(2)16(15-10-9-12(3)28-15)22-19-18(23-29-24-19)21-14-8-6-7-13(17(14)26)20(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m1/s1
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248039
PNG
((R)-3-(4-(1-(furan-2-yl)-2,2-dimethylpropylamino)-...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C20H25N5O3S/c1-20(2,3)16(14-10-7-11-28-14)22-18-17(23-29-24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
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15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248591
PNG
((R)-3-(4-(cyclopropyl(phenyl)methylamino)-1,2,5-th...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@H](C2CC2)c2ccccc2)c1O |r|
Show InChI InChI=1S/C21H23N5O2S/c1-26(2)21(28)15-9-6-10-16(18(15)27)22-19-20(25-29-24-19)23-17(14-11-12-14)13-7-4-3-5-8-13/h3-10,14,17,27H,11-12H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227002
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-butylamino)-1,...)
Show SMILES CCC(C)(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccco1 |w:14.15,t:7|
Show InChI InChI=1S/C21H27N5O5S/c1-6-21(2,3)17(15-11-8-12-31-15)23-19-18(24-32(29,30)25-19)22-14-10-7-9-13(16(14)27)20(28)26(4)5/h7-12,17,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248083
PNG
((R)-(3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)prop...)
Show SMILES Cc1ccc(o1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N2CCOCC2)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C23H29N5O4S/c1-14-8-9-17(32-14)19(23(2,3)4)25-21-20(26-33-27-21)24-16-7-5-6-15(18(16)29)22(30)28-10-12-31-13-11-28/h5-9,19,29H,10-13H2,1-4H3,(H,24,26)(H,25,27)/t19-/m0/s1
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18n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248590
PNG
((R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C20H21F2N5O2S/c1-4-15(11-8-12(21)10-13(22)9-11)23-18-19(26-30-25-18)24-16-7-5-6-14(17(16)28)20(29)27(2)3/h5-10,15,28H,4H2,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Br J Pharmacol 142: 851-60 (2004)


Article DOI: 10.1038/sj.bjp.0705856
BindingDB Entry DOI: 10.7270/Q20863V3
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248547
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-phenylpropylami...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N5O2S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-28-23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-/m1/s1
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227000
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
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21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227008
PNG
(3-{4-[(R)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2,...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCCOc3c2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C24H29N5O6S/c1-24(2,3)20(14-9-10-17-18(13-14)35-12-11-34-17)26-22-21(27-36(32,33)28-22)25-16-8-6-7-15(19(16)30)23(31)29(4)5/h6-10,13,20,30H,11-12H2,1-5H3,(H,25,27)(H,26,28)/t20-/m0/s1
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24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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27n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Br J Pharmacol 142: 851-60 (2004)


Article DOI: 10.1038/sj.bjp.0705856
BindingDB Entry DOI: 10.7270/Q20863V3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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28n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Br J Pharmacol 142: 851-60 (2004)


Article DOI: 10.1038/sj.bjp.0705856
BindingDB Entry DOI: 10.7270/Q20863V3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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32n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Br J Pharmacol 142: 851-60 (2004)


Article DOI: 10.1038/sj.bjp.0705856
BindingDB Entry DOI: 10.7270/Q20863V3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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32n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Br J Pharmacol 142: 851-60 (2004)


Article DOI: 10.1038/sj.bjp.0705856
BindingDB Entry DOI: 10.7270/Q20863V3
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 4


(Homo sapiens (Human))
BDBM22202
PNG
(S1P | [32P]S1P | [33P]S1P | sphingosine-1-phosphat...)
Show SMILES CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
Show InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14-
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33n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Br J Pharmacol 142: 851-60 (2004)


Article DOI: 10.1038/sj.bjp.0705856
BindingDB Entry DOI: 10.7270/Q20863V3
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248114
PNG
((R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropy...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C25H32N6O3S/c1-15(2)16-13-19(34-14-16)21(25(3,4)5)28-23-22(29-35-30-23)27-18-10-7-9-17(20(18)32)24(33)31(6)12-8-11-26/h7,9-10,13-15,21,32H,8,12H2,1-6H3,(H,27,29)(H,28,30)/t21-/m0/s1
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34n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50247972
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(4-(1-(4-methylfuran-...)
Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)co1 |r|
Show InChI InChI=1S/C19H23N5O3S/c1-5-13(15-9-11(2)10-27-15)20-17-18(23-28-22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-/m1/s1
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35n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248589
PNG
(2-hydroxy-N,N-dimethyl-3-(4-(2,2,2-trifluoro-1-phe...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2NC(c2ccccc2)C(F)(F)F)c1O
Show InChI InChI=1S/C19H18F3N5O2S/c1-27(2)18(29)12-9-6-10-13(14(12)28)23-16-17(26-30-25-16)24-15(19(20,21)22)11-7-4-3-5-8-11/h3-10,15,28H,1-2H3,(H,23,25)(H,24,26)
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36n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227001
PNG
(3-{4-[(R)-2,2-dimethyl-1-(5-methyl-furan-2-yl)-pro...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/s1
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248112
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1c(O)c(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H26F3N5O3S/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6/h7-10,17,31H,1-6H3,(H,26,28)(H,27,29)/t17-/m0/s1
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38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248546
PNG
((S)-3-(4-(3,3-dimethylbutan-2-ylamino)-1,2,5-thiad...)
Show SMILES C[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C |r|
Show InChI InChI=1S/C17H25N5O2S/c1-10(17(2,3)4)18-14-15(21-25-20-14)19-12-9-7-8-11(13(12)23)16(24)22(5)6/h7-10,23H,1-6H3,(H,18,20)(H,19,21)/t10-/m0/s1
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43n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50248115
PNG
((R)-N-(2-cyanoethyl)-3-(4-(1-(furan-2-yl)-2,2-dime...)
Show SMILES CN(CCC#N)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccco2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C22H26N6O3S/c1-22(2,3)18(16-10-6-13-31-16)25-20-19(26-32-27-20)24-15-9-5-8-14(17(15)29)21(30)28(4)12-7-11-23/h5-6,8-10,13,18,29H,7,12H2,1-4H3,(H,24,26)(H,25,27)/t18-/m0/s1
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44n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248592
PNG
((R)-3-(4-(1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimeth...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3CCCc3c2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C25H31N5O2S/c1-25(2,3)21(17-13-12-15-8-6-9-16(15)14-17)27-23-22(28-33-29-23)26-19-11-7-10-18(20(19)31)24(32)30(4)5/h7,10-14,21,31H,6,8-9H2,1-5H3,(H,26,28)(H,27,29)/t21-/m0/s1
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44n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227003
PNG
(3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
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46n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227005
PNG
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1
Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
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50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50247947
PNG
((R)-3-(4-(1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
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52n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248036
PNG
((S)-2-hydroxy-N,N-dimethyl-3-(4-(2,2,2-trifluoro-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(F)(F)F)c1O |r|
Show InChI InChI=1S/C18H18F3N5O3S/c1-9-7-8-12(29-9)14(18(19,20)21)23-16-15(24-30-25-16)22-11-6-4-5-10(13(11)27)17(28)26(2)3/h4-8,14,27H,1-3H3,(H,22,24)(H,23,25)/t14-/m0/s1
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53n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227007
PNG
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((S)-1,2,2-trime...)
Show SMILES C[C@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)C(C)(C)C
Show InChI InChI=1S/C17H25N5O3S/c1-10(17(2,3)4)18-14-15(21-26(25)20-14)19-12-9-7-8-11(13(12)23)16(24)22(5)6/h7-10,23H,1-6H3,(H,18,20)(H,19,21)/t10-,26?/m0/s1
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58n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227006
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O |w:10.9,c:16|
Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
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61n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
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