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PubMed code 16297626

Compile data set for download or QSAR
Found 14 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))
BDBM50177615
PNG
((R)-2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[...)
Show SMILES CC[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C16H17F2N5OS2/c1-2-9(6-24)20-13-12-14(21-15(19)26-12)23-16(22-13)25-7-8-4-3-5-10(17)11(8)18/h3-5,9,24H,2,6-7H2,1H3,(H3,19,20,21,22,23)/t9-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177611
PNG
(2-(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-...)
Show SMILES CC(C)(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12
Show InChI InChI=1S/C16H17F2N5OS2/c1-16(2,7-24)23-13-11-12(20-14(19)26-11)21-15(22-13)25-6-8-4-3-5-9(17)10(8)18/h3-5,24H,6-7H2,1-2H3,(H3,19,20,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177602
PNG
(2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5-d]p...)
Show SMILES CC(C)(CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12
Show InChI InChI=1S/C22H23N5O2S2/c1-22(2,13-28)27-19-17-18(24-20(23)31-17)25-21(26-19)30-12-14-7-6-10-16(11-14)29-15-8-4-3-5-9-15/h3-11,28H,12-13H2,1-2H3,(H3,23,24,25,26,27)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177607
PNG
((R)-2-(2-amino-5-(benzylthio)thiazolo[4,5-d]pyrimi...)
Show SMILES CC[C@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C16H19N5OS2/c1-2-11(8-22)18-13-12-14(19-15(17)24-12)21-16(20-13)23-9-10-6-4-3-5-7-10/h3-7,11,22H,2,8-9H2,1H3,(H3,17,18,19,20,21)/t11-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177604
PNG
(5-(2,3-difluorobenzylthio)-2-aminothiazolo[4,5-d]p...)
Show SMILES Nc1nc2nc(SCc3cccc(F)c3F)[nH]c(=O)c2s1
Show InChI InChI=1S/C12H8F2N4OS2/c13-6-3-1-2-5(7(6)14)4-20-12-17-9-8(10(19)18-12)21-11(15)16-9/h1-3H,4H2,(H3,15,16,17,18,19)
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n/an/a 270n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177613
PNG
((R)-2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5...)
Show SMILES CC[C@H](CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12
Show InChI InChI=1S/C22H23N5O2S2/c1-2-15(12-28)24-19-18-20(25-21(23)31-18)27-22(26-19)30-13-14-7-6-10-17(11-14)29-16-8-4-3-5-9-16/h3-11,15,28H,2,12-13H2,1H3,(H3,23,24,25,26,27)/t15-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177606
PNG
(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5-d]pyri...)
Show SMILES Nc1nc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c(=O)c2s1
Show InChI InChI=1S/C18H14N4O2S2/c19-17-20-15-14(26-17)16(23)22-18(21-15)25-10-11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-9H,10H2,(H3,19,20,21,22,23)
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n/an/a 480n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177614
PNG
(2-amino-5-(benzylthio)thiazolo[4,5-d]pyrimidin-7-o...)
Show SMILES Nc1nc2nc(SCc3ccccc3)[nH]c(=O)c2s1
Show InChI InChI=1S/C12H10N4OS2/c13-11-14-9-8(19-11)10(17)16-12(15-9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177612
PNG
((S)-2-(5-(3-phenoxybenzylthio)-2-aminothiazolo[4,5...)
Show SMILES CC[C@@H](CO)Nc1nc(SCc2cccc(Oc3ccccc3)c2)nc2nc(N)sc12
Show InChI InChI=1S/C22H23N5O2S2/c1-2-15(12-28)24-19-18-20(25-21(23)31-18)27-22(26-19)30-13-14-7-6-10-17(11-14)29-16-8-4-3-5-9-16/h3-11,15,28H,2,12-13H2,1H3,(H3,23,24,25,26,27)/t15-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177605
PNG
((S)-2-(2-amino-5-(benzylthio)thiazolo[4,5-d]pyrimi...)
Show SMILES CC[C@@H](CO)Nc1nc(SCc2ccccc2)nc2nc(N)sc12
Show InChI InChI=1S/C16H19N5OS2/c1-2-11(8-22)18-13-12-14(19-15(17)24-12)21-16(20-13)23-9-10-6-4-3-5-7-10/h3-7,11,22H,2,8-9H2,1H3,(H3,17,18,19,20,21)/t11-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177603
PNG
(2-(2-amino-5-(pentylthio)thiazolo[4,5-d]pyrimidin-...)
Show SMILES CCCCCSc1nc(NCCO)c2sc(N)nc2n1
Show InChI InChI=1S/C12H19N5OS2/c1-2-3-4-7-19-12-16-9(14-5-6-18)8-10(17-12)15-11(13)20-8/h18H,2-7H2,1H3,(H3,13,14,15,16,17)
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177609
PNG
(5-(pentylthio)thiazolo[4,5-d]pyrimidin-7-ol | CHEM...)
Show SMILES CCCCCSc1nc2ncsc2c(=O)[nH]1
Show InChI InChI=1S/C10H13N3OS2/c1-2-3-4-5-15-10-12-8-7(9(14)13-10)16-6-11-8/h6H,2-5H2,1H3,(H,12,13,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177608
PNG
(2-amino-5-(pentylthio)thiazolo[4,5-d]pyrimidin-7-o...)
Show SMILES CCCCCSc1nc2nc(N)sc2c(=O)[nH]1
Show InChI InChI=1S/C10H14N4OS2/c1-2-3-4-5-16-10-13-7-6(8(15)14-10)17-9(11)12-7/h2-5H2,1H3,(H3,11,12,13,14,15)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50177610
PNG
(5-(benzylthio)thiazolo[4,5-d]pyrimidine-2,7-diamin...)
Show SMILES Nc1nc2nc(SCc3ccccc3)nc(N)c2s1
Show InChI InChI=1S/C12H11N5S2/c13-9-8-10(16-11(14)19-8)17-12(15-9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,13,14,15,16,17)
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n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 membranes by SPA


Bioorg Med Chem Lett 16: 960-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.091
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%