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PubMed code 15357956

Compile data set for download or QSAR
Found 11 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))
BDBM50152761
PNG
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...)
Show SMILES NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C13H11BrClN3O4S/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50152759
PNG
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...)
Show SMILES NC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50152760
PNG
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-N...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C15H15BrClN3O4S/c1-20(2)25(23,24)14-10(17)7-8-12(13(14)21)19-15(22)18-11-6-4-3-5-9(11)16/h3-8,21H,1-2H3,(H2,18,19,22)
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50152762
PNG
(1-(2-Bromo-phenyl)-3-(3,4-dichloro-2-hydroxy-pheny...)
Show SMILES Oc1c(Cl)c(Cl)ccc1NC(=O)Nc1ccccc1Br
Show InChI InChI=1S/C13H9BrCl2N2O2/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)11(16)12(10)19/h1-6,19H,(H2,17,18,20)
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n/an/a 63n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50152763
PNG
(1-(3-Aminomethyl-4-chloro-2-hydroxy-phenyl)-3-(2-b...)
Show SMILES NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C14H13BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,7,17H2,(H2,18,19,21)
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n/an/a 114n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50152764
PNG
(1-(2-Bromo-phenyl)-3-(4-chloro-2-hydroxy-phenyl)-u...)
Show SMILES Oc1cc(Cl)ccc1NC(=O)Nc1ccccc1Br
Show InChI InChI=1S/C13H10BrClN2O2/c14-9-3-1-2-4-10(9)16-13(19)17-11-6-5-8(15)7-12(11)18/h1-7,18H,(H2,16,17,19)
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n/an/a 906n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]IL-8 binding towards C-X-C chemokine receptor type 2 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50152761
PNG
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...)
Show SMILES NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C13H11BrClN3O4S/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)12(11(10)19)23(16,21)22/h1-6,19H,(H2,16,21,22)(H2,17,18,20)
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n/an/a 1.37E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50152760
PNG
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-N...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C15H15BrClN3O4S/c1-20(2)25(23,24)14-10(17)7-8-12(13(14)21)19-15(22)18-11-6-4-3-5-9(11)16/h3-8,21H,1-2H3,(H2,18,19,22)
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n/an/a 4.32E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50152759
PNG
(3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-b...)
Show SMILES NC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C14H11BrClN3O3/c15-7-3-1-2-4-9(7)18-14(22)19-10-6-5-8(16)11(12(10)20)13(17)21/h1-6,20H,(H2,17,21)(H2,18,19,22)
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n/an/a 6.04E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50152762
PNG
(1-(2-Bromo-phenyl)-3-(3,4-dichloro-2-hydroxy-pheny...)
Show SMILES Oc1c(Cl)c(Cl)ccc1NC(=O)Nc1ccccc1Br
Show InChI InChI=1S/C13H9BrCl2N2O2/c14-7-3-1-2-4-9(7)17-13(20)18-10-6-5-8(15)11(16)12(10)19/h1-6,19H,(H2,17,18,20)
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n/an/a 1.34E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50152763
PNG
(1-(3-Aminomethyl-4-chloro-2-hydroxy-phenyl)-3-(2-b...)
Show SMILES NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C14H13BrClN3O2/c15-9-3-1-2-4-11(9)18-14(21)19-12-6-5-10(16)8(7-17)13(12)20/h1-6,20H,7,17H2,(H2,18,19,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Concentration required to inhibit [125I]-IL-8 binding towards C-X-C chemokine receptor type 1 of human expressed in CHO cells


Bioorg Med Chem Lett 14: 4375-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.097
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%