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PubMed code 14998320

Compile data set for download or QSAR
Found 16 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))
BDBM50140791
PNG
(1-(3-Bromo-4-cyano-2-hydroxy-phenyl)-3-(2-bromo-ph...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(C#N)c1Br
Show InChI InChI=1S/C14H9Br2N3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140795
PNG
(1-(2-Bromo-phenyl)-3-(3-chloro-4-cyano-2-hydroxy-p...)
Show SMILES Oc1c(Cl)c(ccc1NC(=O)Nc1ccccc1Br)C#N
Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140796
PNG
(1-(2-Bromo-phenyl)-3-(4-cyano-2-hydroxy-phenyl)-ur...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)C#N
Show InChI InChI=1S/C14H10BrN3O2/c15-10-3-1-2-4-11(10)17-14(20)18-12-6-5-9(8-16)7-13(12)19/h1-7,19H,(H2,17,18,20)
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140789
PNG
(1-(2-Bromo-phenyl)-3-(4-chloro-3-cyano-2-hydroxy-p...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(Cl)c1C#N
Show InChI InChI=1S/C14H9BrClN3O2/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,(H2,18,19,21)
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n/an/a 57n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140792
PNG
(1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140794
PNG
(1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea | 1-(2-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
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n/an/a 320n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140793
PNG
(1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea | CHEMB...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2)cccc1[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)
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n/an/a 860n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140791
PNG
(1-(3-Bromo-4-cyano-2-hydroxy-phenyl)-3-(2-bromo-ph...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(C#N)c1Br
Show InChI InChI=1S/C14H9Br2N3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140795
PNG
(1-(2-Bromo-phenyl)-3-(3-chloro-4-cyano-2-hydroxy-p...)
Show SMILES Oc1c(Cl)c(ccc1NC(=O)Nc1ccccc1Br)C#N
Show InChI InChI=1S/C14H9BrClN3O2/c15-9-3-1-2-4-10(9)18-14(21)19-11-6-5-8(7-17)12(16)13(11)20/h1-6,20H,(H2,18,19,21)
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n/an/a 4.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140790
PNG
(1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea | CHEMB...)
Show SMILES Oc1ccc(cc1NC(=O)Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4/c17-12-7-6-10(16(19)20)8-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
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n/an/a 1.09E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140789
PNG
(1-(2-Bromo-phenyl)-3-(4-chloro-3-cyano-2-hydroxy-p...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2Br)ccc(Cl)c1C#N
Show InChI InChI=1S/C14H9BrClN3O2/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,(H2,18,19,21)
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n/an/a 1.11E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140796
PNG
(1-(2-Bromo-phenyl)-3-(4-cyano-2-hydroxy-phenyl)-ur...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)C#N
Show InChI InChI=1S/C14H10BrN3O2/c15-10-3-1-2-4-11(10)17-14(20)18-12-6-5-9(8-16)7-13(12)19/h1-7,19H,(H2,17,18,20)
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n/an/a 1.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140794
PNG
(1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea | 1-(2-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
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n/an/a 1.82E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140792
PNG
(1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
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n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140793
PNG
(1-(2-Hydroxy-3-nitro-phenyl)-3-phenyl-urea | CHEMB...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2)cccc1[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4/c17-12-10(7-4-8-11(12)16(19)20)15-13(18)14-9-5-2-1-3-6-9/h1-8,17H,(H2,14,15,18)
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n/an/a 3.32E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140790
PNG
(1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea | CHEMB...)
Show SMILES Oc1ccc(cc1NC(=O)Nc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O4/c17-12-7-6-10(16(19)20)8-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
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n/an/a 4.62E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%