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PubMed code 16934456

Compile data set for download or QSAR
Found 36 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))
BDBM50193985
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(F)ccc(N=C(NC#N)Nc2ccccc2Br)c1O |w:12.11|
Show InChI InChI=1S/C16H15BrFN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193979
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O |w:12.11|
Show InChI InChI=1S/C16H15BrClN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193972
PNG
(3-(2-bromophenyl)-2-cyano-1-(2-hydroxy-4-methyl-3-...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCOCC1 |w:15.14|
Show InChI InChI=1S/C24H31BrN6O4S/c1-4-24(5-2,31-12-14-35-15-13-31)30-36(33,34)22-17(3)10-11-20(21(22)32)29-23(27-16-26)28-19-9-7-6-8-18(19)25/h6-11,30,32H,4-5,12-15H2,1-3H3,(H2,27,28,29)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193980
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O |w:12.11|
Show InChI InChI=1S/C17H18BrN5O3S/c1-11-8-9-14(15(24)16(11)27(25,26)23(2)3)22-17(20-10-19)21-13-7-5-4-6-12(13)18/h4-9,24H,1-3H3,(H2,20,21,22)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193971
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(O)c(ccc1C(F)(F)F)N=C(NC#N)Nc1ccccc1Br |w:17.17|
Show InChI InChI=1S/C17H15BrF3N5O3S/c1-26(2)30(28,29)15-10(17(19,20)21)7-8-13(14(15)27)25-16(23-9-22)24-12-6-4-3-5-11(12)18/h3-8,27H,1-2H3,(H2,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193978
PNG
(3-(2-bromophenyl)-1-[4-chloro-3-({3-[(2R,6S)-2,6-d...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1C[C@H](C)O[C@H](C)C1 |w:15.14|
Show InChI InChI=1S/C25H32BrClN6O4S/c1-5-25(6-2,33-13-16(3)37-17(4)14-33)32-38(35,36)23-19(27)11-12-21(22(23)34)31-24(29-15-28)30-20-10-8-7-9-18(20)26/h7-12,16-17,32,34H,5-6,13-14H2,1-4H3,(H2,29,30,31)/t16-,17+
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193974
PNG
(6-chloro-3-({(cyanoimino)[(2-fluorophenyl)amino]me...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2F)c1O |w:12.11|
Show InChI InChI=1S/C16H15ClFN5O3S/c1-23(2)27(25,26)15-10(17)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-11(12)18/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193970
PNG
(3-[2-(benzyloxy)phenyl]-1-[4-chloro-3-(dimethylsul...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2OCc2ccccc2)c1O |w:12.11|
Show InChI InChI=1S/C23H22ClN5O4S/c1-29(2)34(31,32)22-17(24)12-13-19(21(22)30)28-23(26-15-25)27-18-10-6-7-11-20(18)33-14-16-8-4-3-5-9-16/h3-13,30H,14H2,1-2H3,(H2,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193982
PNG
(3-(2-bromophenyl)-2-cyano-1-(2-hydroxy-3-{[3-(morp...)
Show SMILES CCC(CC)(NS(=O)(=O)c1cccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCOCC1 |w:14.13|
Show InChI InChI=1S/C23H29BrN6O4S/c1-3-23(4-2,30-12-14-34-15-13-30)29-35(32,33)20-11-7-10-19(21(20)31)28-22(26-16-25)27-18-9-6-5-8-17(18)24/h5-11,29,31H,3-4,12-15H2,1-2H3,(H2,26,27,28)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193981
PNG
(6-chloro-3-[((cyanoimino){[2-(trifluoromethyl)phen...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2C(F)(F)F)c1O |w:12.11|
Show InChI InChI=1S/C17H15ClF3N5O3S/c1-26(2)30(28,29)15-11(18)7-8-13(14(15)27)25-16(23-9-22)24-12-6-4-3-5-10(12)17(19,20)21/h3-8,27H,1-2H3,(H2,23,24,25)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193977
PNG
(1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2-c2ccccc2)c1O |w:12.11|
Show InChI InChI=1S/C22H20ClN5O3S/c1-28(2)32(30,31)21-17(23)12-13-19(20(21)29)27-22(25-14-24)26-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-13,29H,1-2H3,(H2,25,26,27)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193984
PNG
(6-chloro-3-({(cyanoimino)[(2-ethylphenyl)amino]met...)
Show SMILES CCc1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C |w:13.14|
Show InChI InChI=1S/C18H20ClN5O3S/c1-4-12-7-5-6-8-14(12)22-18(21-11-20)23-15-10-9-13(19)17(16(15)25)28(26,27)24(2)3/h5-10,25H,4H2,1-3H3,(H2,21,22,23)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193973
PNG
((R)-1-(3-(3-(3-(2-bromophenyl)-2-cyanoguanidino)-6...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC[C@@H]1C(O)=O |w:15.14|
Show InChI InChI=1S/C24H28BrClN6O5S/c1-3-24(4-2,32-13-7-10-19(32)22(34)35)31-38(36,37)21-16(26)11-12-18(20(21)33)30-23(28-14-27)29-17-9-6-5-8-15(17)25/h5-6,8-9,11-12,19,31,33H,3-4,7,10,13H2,1-2H3,(H,34,35)(H2,28,29,30)/t19-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193986
PNG
(6-chloro-3-({(cyanoimino)[(2-methylphenyl)amino]me...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2C)c1O |w:12.11|
Show InChI InChI=1S/C17H18ClN5O3S/c1-11-6-4-5-7-13(11)21-17(20-10-19)22-14-9-8-12(18)16(15(14)24)27(25,26)23(2)3/h4-9,24H,1-3H3,(H2,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193976
PNG
(1-[4-chloro-3-({3-[(2R,6S)-2,6-dimethylmorpholin-4...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2C)c1O)N1C[C@H](C)O[C@H](C)C1 |w:15.14|
Show InChI InChI=1S/C26H35ClN6O4S/c1-6-26(7-2,33-14-18(4)37-19(5)15-33)32-38(35,36)24-20(27)12-13-22(23(24)34)31-25(29-16-28)30-21-11-9-8-10-17(21)3/h8-13,18-19,32,34H,6-7,14-15H2,1-5H3,(H2,29,30,31)/t18-,19+
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193969
PNG
(1-(3-{[3-(4-aminopiperidin-1-yl)pentan-3-yl]sulfam...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC(N)CC1 |w:15.14|
Show InChI InChI=1S/C24H31BrClN7O3S/c1-3-24(4-2,33-13-11-16(28)12-14-33)32-37(35,36)22-18(26)9-10-20(21(22)34)31-23(29-15-27)30-19-8-6-5-7-17(19)25/h5-10,16,32,34H,3-4,11-14,28H2,1-2H3,(H2,29,30,31)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193973
PNG
((R)-1-(3-(3-(3-(2-bromophenyl)-2-cyanoguanidino)-6...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC[C@@H]1C(O)=O |w:15.14|
Show InChI InChI=1S/C24H28BrClN6O5S/c1-3-24(4-2,32-13-7-10-19(32)22(34)35)31-38(36,37)21-16(26)11-12-18(20(21)33)30-23(28-14-27)29-17-9-6-5-8-15(17)25/h5-6,8-9,11-12,19,31,33H,3-4,7,10,13H2,1-2H3,(H,34,35)(H2,28,29,30)/t19-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193975
PNG
(6-chloro-3-{[[(3-chloro-2-fluorophenyl)amino](cyan...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2cccc(Cl)c2F)c1O |w:12.11|
Show InChI InChI=1S/C16H14Cl2FN5O3S/c1-24(2)28(26,27)15-10(18)6-7-12(14(15)25)23-16(21-8-20)22-11-5-3-4-9(17)13(11)19/h3-7,25H,1-2H3,(H2,21,22,23)
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GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193979
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O |w:12.11|
Show InChI InChI=1S/C16H15BrClN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193971
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(O)c(ccc1C(F)(F)F)N=C(NC#N)Nc1ccccc1Br |w:17.17|
Show InChI InChI=1S/C17H15BrF3N5O3S/c1-26(2)30(28,29)15-10(17(19,20)21)7-8-13(14(15)27)25-16(23-9-22)24-12-6-4-3-5-11(12)18/h3-8,27H,1-2H3,(H2,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193972
PNG
(3-(2-bromophenyl)-2-cyano-1-(2-hydroxy-4-methyl-3-...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCOCC1 |w:15.14|
Show InChI InChI=1S/C24H31BrN6O4S/c1-4-24(5-2,31-12-14-35-15-13-31)30-36(33,34)22-17(3)10-11-20(21(22)32)29-23(27-16-26)28-19-9-7-6-8-18(19)25/h6-11,30,32H,4-5,12-15H2,1-3H3,(H2,27,28,29)
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n/an/a 104n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50193983
PNG
(1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]...)
Show SMILES CC(C)c1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C |w:14.15|
Show InChI InChI=1S/C19H22ClN5O3S/c1-12(2)13-7-5-6-8-15(13)23-19(22-11-21)24-16-10-9-14(20)18(17(16)26)29(27,28)25(3)4/h5-10,12,26H,1-4H3,(H2,22,23,24)
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n/an/a 112n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193980
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O |w:12.11|
Show InChI InChI=1S/C17H18BrN5O3S/c1-11-8-9-14(15(24)16(11)27(25,26)23(2)3)22-17(20-10-19)21-13-7-5-4-6-12(13)18/h4-9,24H,1-3H3,(H2,20,21,22)
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n/an/a 187n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193969
PNG
(1-(3-{[3-(4-aminopiperidin-1-yl)pentan-3-yl]sulfam...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC(N)CC1 |w:15.14|
Show InChI InChI=1S/C24H31BrClN7O3S/c1-3-24(4-2,33-13-11-16(28)12-14-33)32-37(35,36)22-18(26)9-10-20(21(22)34)31-23(29-15-27)30-19-8-6-5-7-17(19)25/h5-10,16,32,34H,3-4,11-14,28H2,1-2H3,(H2,29,30,31)
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n/an/a 188n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193985
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(F)ccc(N=C(NC#N)Nc2ccccc2Br)c1O |w:12.11|
Show InChI InChI=1S/C16H15BrFN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 192n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193978
PNG
(3-(2-bromophenyl)-1-[4-chloro-3-({3-[(2R,6S)-2,6-d...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1C[C@H](C)O[C@H](C)C1 |w:15.14|
Show InChI InChI=1S/C25H32BrClN6O4S/c1-5-25(6-2,33-13-16(3)37-17(4)14-33)32-38(35,36)23-19(27)11-12-21(22(23)34)31-24(29-15-28)30-20-10-8-7-9-18(20)26/h7-12,16-17,32,34H,5-6,13-14H2,1-4H3,(H2,29,30,31)/t16-,17+
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n/an/a 215n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193970
PNG
(3-[2-(benzyloxy)phenyl]-1-[4-chloro-3-(dimethylsul...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2OCc2ccccc2)c1O |w:12.11|
Show InChI InChI=1S/C23H22ClN5O4S/c1-29(2)34(31,32)22-17(24)12-13-19(21(22)30)28-23(26-15-25)27-18-10-6-7-11-20(18)33-14-16-8-4-3-5-9-16/h3-13,30H,14H2,1-2H3,(H2,26,27,28)
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n/an/a 293n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193986
PNG
(6-chloro-3-({(cyanoimino)[(2-methylphenyl)amino]me...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2C)c1O |w:12.11|
Show InChI InChI=1S/C17H18ClN5O3S/c1-11-6-4-5-7-13(11)21-17(20-10-19)22-14-9-8-12(18)16(15(14)24)27(25,26)23(2)3/h4-9,24H,1-3H3,(H2,20,21,22)
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n/an/a 378n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193981
PNG
(6-chloro-3-[((cyanoimino){[2-(trifluoromethyl)phen...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2C(F)(F)F)c1O |w:12.11|
Show InChI InChI=1S/C17H15ClF3N5O3S/c1-26(2)30(28,29)15-11(18)7-8-13(14(15)27)25-16(23-9-22)24-12-6-4-3-5-10(12)17(19,20)21/h3-8,27H,1-2H3,(H2,23,24,25)
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n/an/a 411n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193984
PNG
(6-chloro-3-({(cyanoimino)[(2-ethylphenyl)amino]met...)
Show SMILES CCc1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C |w:13.14|
Show InChI InChI=1S/C18H20ClN5O3S/c1-4-12-7-5-6-8-14(12)22-18(21-11-20)23-15-10-9-13(19)17(16(15)25)28(26,27)24(2)3/h5-10,25H,4H2,1-3H3,(H2,21,22,23)
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n/an/a 512n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193982
PNG
(3-(2-bromophenyl)-2-cyano-1-(2-hydroxy-3-{[3-(morp...)
Show SMILES CCC(CC)(NS(=O)(=O)c1cccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCOCC1 |w:14.13|
Show InChI InChI=1S/C23H29BrN6O4S/c1-3-23(4-2,30-12-14-34-15-13-30)29-35(32,33)20-11-7-10-19(21(20)31)28-22(26-16-25)27-18-9-6-5-8-17(18)24/h5-11,29,31H,3-4,12-15H2,1-2H3,(H2,26,27,28)
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n/an/a 582n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193977
PNG
(1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2-c2ccccc2)c1O |w:12.11|
Show InChI InChI=1S/C22H20ClN5O3S/c1-28(2)32(30,31)21-17(23)12-13-19(20(21)29)27-22(25-14-24)26-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-13,29H,1-2H3,(H2,25,26,27)
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n/an/a 752n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193976
PNG
(1-[4-chloro-3-({3-[(2R,6S)-2,6-dimethylmorpholin-4...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2C)c1O)N1C[C@H](C)O[C@H](C)C1 |w:15.14|
Show InChI InChI=1S/C26H35ClN6O4S/c1-6-26(7-2,33-14-18(4)37-19(5)15-33)32-38(35,36)24-20(27)12-13-22(23(24)34)31-25(29-16-28)30-21-11-9-8-10-17(21)3/h8-13,18-19,32,34H,6-7,14-15H2,1-5H3,(H2,29,30,31)/t18-,19+
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n/an/a 1.08E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193974
PNG
(6-chloro-3-({(cyanoimino)[(2-fluorophenyl)amino]me...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2F)c1O |w:12.11|
Show InChI InChI=1S/C16H15ClFN5O3S/c1-23(2)27(25,26)15-10(17)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-11(12)18/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 1.55E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193975
PNG
(6-chloro-3-{[[(3-chloro-2-fluorophenyl)amino](cyan...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2cccc(Cl)c2F)c1O |w:12.11|
Show InChI InChI=1S/C16H14Cl2FN5O3S/c1-24(2)28(26,27)15-10(18)6-7-12(14(15)25)23-16(21-8-20)22-11-5-3-4-9(17)13(11)19/h3-7,25H,1-2H3,(H2,21,22,23)
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n/an/a 6.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193983
PNG
(1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]...)
Show SMILES CC(C)c1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C |w:14.15|
Show InChI InChI=1S/C19H22ClN5O3S/c1-12(2)13-7-5-6-8-15(13)23-19(22-11-21)24-16-10-9-14(20)18(17(16)26)29(27,28)25(3)4/h5-10,12,26H,1-4H3,(H2,22,23,24)
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n/an/a 7.29E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Bioorg Med Chem Lett 16: 5513-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.042
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%