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PubMed code 18242983

Compile data set for download or QSAR
Found 82 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))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2-mediated chemotaxis in Ba/F3 cells expressing human CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233586
PNG
(2-hydroxy-3-(2-(1-(5-(hydroxymethyl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1 |w:2.2|
Show InChI InChI=1S/C21H23N3O6/c1-4-13(15-9-8-11(10-25)30-15)22-16-17(20(28)19(16)27)23-14-7-5-6-12(18(14)26)21(29)24(2)3/h5-9,13,22-23,25-26H,4,10H2,1-3H3
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n/an/a 2.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233561
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3/t13-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233560
PNG
(3-(2-(1-(benzofuran-2-yl)propylamino)-3,4-dioxocyc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc2ccccc2o1 |w:2.2|
Show InChI InChI=1S/C24H23N3O5/c1-4-15(18-12-13-8-5-6-11-17(13)32-18)25-19-20(23(30)22(19)29)26-16-10-7-9-14(21(16)28)24(31)27(2)3/h5-12,15,25-26,28H,4H2,1-3H3
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233574
PNG
((R)-3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233592
PNG
(3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CC)o1 |w:2.2|
Show InChI InChI=1S/C22H25N3O5/c1-5-12-10-11-16(30-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4/h7-11,14,23-24,26H,5-6H2,1-4H3
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n/an/a 4.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2-mediated chemotaxis in Ba/F3 cells expressing human CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233589
PNG
(3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 4.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233572
PNG
((R)-3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3/t11-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233588
PNG
(3-(2-(1-(5-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Br)o1 |w:2.2|
Show InChI InChI=1S/C20H20BrN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 4.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233581
PNG
(3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 4.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233563
PNG
(3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocyclobut...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 |w:2.2|
Show InChI InChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233577
PNG
(3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1 |w:2.2|
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233553
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |w:2.2|
Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3
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n/an/a 5.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233584
PNG
(3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)cyclo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 |w:2.2|
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3
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n/an/a 5.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233570
PNG
(3-(3,4-dioxo-2-(1-(4-phenylfuran-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C26H25N3O5/c1-4-18(20-13-16(14-34-20)15-9-6-5-7-10-15)27-21-22(25(32)24(21)31)28-19-12-8-11-17(23(19)30)26(33)29(2)3/h5-14,18,27-28,30H,4H2,1-3H3
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n/an/a 6.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233580
PNG
(3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H21N3O4S/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 6.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233557
PNG
(3-(2-(1-(5-chlorothiophen-2-yl)propylamino)-3,4-di...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)s1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3O4S/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 6.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233558
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxaz...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3/t12-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233568
PNG
(3-(2-(1-(5-(difluoromethyl)furan-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)C(F)F |w:2.2|
Show InChI InChI=1S/C21H21F2N3O5/c1-4-11(13-8-9-14(31-13)20(22)23)24-15-16(19(29)18(15)28)25-12-7-5-6-10(17(12)27)21(30)26(2)3/h5-9,11,20,24-25,27H,4H2,1-3H3
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n/an/a 6.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233567
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxazol-3...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1 |w:2.2|
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3
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n/an/a 7.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233590
PNG
(3-(2-(1-(4-(3,5-dimethylisoxazol-4-yl)furan-2-yl)p...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1c(C)noc1C |w:2.2|
Show InChI InChI=1S/C25H26N4O6/c1-6-16(18-10-14(11-34-18)19-12(2)28-35-13(19)3)26-20-21(24(32)23(20)31)27-17-9-7-8-15(22(17)30)25(33)29(4)5/h7-11,16,26-27,30H,6H2,1-5H3
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n/an/a 7.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233552
PNG
(3-(2-(1-(furan-3-yl)propylamino)-3,4-dioxocyclobut...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccoc1 |w:2.2|
Show InChI InChI=1S/C20H21N3O5/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233562
PNG
(3-(3,4-dioxo-2-(1-(4-(thiophen-3-yl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccsc1 |w:2.2|
Show InChI InChI=1S/C24H23N3O5S/c1-4-16(18-10-14(11-32-18)13-8-9-33-12-13)25-19-20(23(30)22(19)29)26-17-7-5-6-15(21(17)28)24(31)27(2)3/h5-12,16,25-26,28H,4H2,1-3H3
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n/an/a 8.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233556
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(3-methyl-1,2,4-oxa...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1nc(C)no1 |w:2.2|
Show InChI InChI=1S/C19H21N5O5/c1-5-11(18-20-9(2)23-29-18)21-13-14(17(27)16(13)26)22-12-8-6-7-10(15(12)25)19(28)24(3)4/h6-8,11,21-22,25H,5H2,1-4H3
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n/an/a 8.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233565
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(oxazol-2-yl)propyl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ncco1 |w:2.2|
Show InChI InChI=1S/C19H20N4O5/c1-4-11(18-20-8-9-28-18)21-13-14(17(26)16(13)25)22-12-7-5-6-10(15(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 8.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233587
PNG
(3-(3,4-dioxo-2-(1-(4-(pyridin-4-yl)furan-2-yl)prop...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccncc1 |w:2.2|
Show InChI InChI=1S/C25H24N4O5/c1-4-17(19-12-15(13-34-19)14-8-10-26-11-9-14)27-20-21(24(32)23(20)31)28-18-7-5-6-16(22(18)30)25(33)29(2)3/h5-13,17,27-28,30H,4H2,1-3H3
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n/an/a 9.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233583
PNG
(3-(3,4-dioxo-2-(1-(thiazol-2-yl)propylamino)cyclob...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1nccs1 |w:2.2|
Show InChI InChI=1S/C19H20N4O4S/c1-4-11(18-20-8-9-28-18)21-13-14(17(26)16(13)25)22-12-7-5-6-10(15(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 9.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233578
PNG
(2-hydroxy-3-(2-(1-(isoxazol-5-yl)propylamino)-3,4-...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccno1 |w:2.2|
Show InChI InChI=1S/C19H20N4O5/c1-4-11(13-8-9-20-28-13)21-14-15(18(26)17(14)25)22-12-7-5-6-10(16(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 9.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233569
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(oxazol-4-yl)propyl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cocn1 |w:2.2|
Show InChI InChI=1S/C19H20N4O5/c1-4-11(13-8-28-9-20-13)21-14-15(18(26)17(14)25)22-12-7-5-6-10(16(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 10.9n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233558
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxaz...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3/t12-/m1/s1
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n/an/a 12.2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2-mediated chemotaxis in Ba/F3 cells expressing human CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233579
PNG
(3-(2-(1-(3-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1occc1Br |w:2.2|
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(19-11(21)8-9-29-19)22-14-15(18(27)17(14)26)23-13-7-5-6-10(16(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 16.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233566
PNG
(3-(3,4-dioxo-2-(1-(5-(trifluoromethyl)furan-2-yl)p...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C21H20F3N3O5/c1-4-11(13-8-9-14(32-13)21(22,23)24)25-15-16(19(30)18(15)29)26-12-7-5-6-10(17(12)28)20(31)27(2)3/h5-9,11,25-26,28H,4H2,1-3H3
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n/an/a 17.2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233564
PNG
(3-(2-(1-(3-chlorothiophen-2-yl)propylamino)-3,4-di...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1Cl |w:2.2|
Show InChI InChI=1S/C20H20ClN3O4S/c1-4-12(19-11(21)8-9-29-19)22-14-15(18(27)17(14)26)23-13-7-5-6-10(16(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233591
PNG
(3-(2-(1-(5-(2-chlorophenyl)furan-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1ccccc1Cl |w:2.2|
Show InChI InChI=1S/C26H24ClN3O5/c1-4-17(20-13-12-19(35-20)14-8-5-6-10-16(14)27)28-21-22(25(33)24(21)32)29-18-11-7-9-15(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3
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n/an/a 49n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233555
PNG
(3-(3,4-dioxo-2-(1-(pyridin-4-yl)propylamino)cyclob...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccncc1 |w:2.2|
Show InChI InChI=1S/C21H22N4O4/c1-4-14(12-8-10-22-11-9-12)23-16-17(20(28)19(16)27)24-15-7-5-6-13(18(15)26)21(29)25(2)3/h5-11,14,23-24,26H,4H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233573
PNG
(3-(2-(1-(5-(3-chlorophenyl)furan-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(Cl)c1 |w:2.2|
Show InChI InChI=1S/C26H24ClN3O5/c1-4-17(20-12-11-19(35-20)14-7-5-8-15(27)13-14)28-21-22(25(33)24(21)32)29-18-10-6-9-16(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233574
PNG
((R)-3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233563
PNG
(3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocyclobut...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 |w:2.2|
Show InChI InChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 67n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233582
PNG
(3-(3,4-dioxo-2-(1-(5-(3-(trifluoromethyl)phenyl)fu...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C27H24F3N3O5/c1-4-17(20-12-11-19(38-20)14-7-5-8-15(13-14)27(28,29)30)31-21-22(25(36)24(21)35)32-18-10-6-9-16(23(18)34)26(37)33(2)3/h5-13,17,31-32,34H,4H2,1-3H3
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n/an/a 87n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233577
PNG
(3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1 |w:2.2|
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 93n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233559
PNG
(3-(2-(1-(5-((dimethylamino)methyl)furan-2-yl)propy...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CN(C)C)o1 |w:2.2|
Show InChI InChI=1S/C23H28N4O5/c1-6-15(17-11-10-13(32-17)12-26(2)3)24-18-19(22(30)21(18)29)25-16-9-7-8-14(20(16)28)23(31)27(4)5/h7-11,15,24-25,28H,6,12H2,1-5H3
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n/an/a 94n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233553
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |w:2.2|
Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3
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n/an/a 99n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233589
PNG
(3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233561
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3/t13-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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n/an/a 148n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233571
PNG
(3-(3,4-dioxo-2-(1-(5-(2-(trifluoromethyl)phenyl)fu...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1ccccc1C(F)(F)F |w:2.2|
Show InChI InChI=1S/C27H24F3N3O5/c1-4-17(20-13-12-19(38-20)14-8-5-6-10-16(14)27(28,29)30)31-21-22(25(36)24(21)35)32-18-11-7-9-15(23(18)34)26(37)33(2)3/h5-13,17,31-32,34H,4H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233570
PNG
(3-(3,4-dioxo-2-(1-(4-phenylfuran-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C26H25N3O5/c1-4-18(20-13-16(14-34-20)15-9-6-5-7-10-15)27-21-22(25(32)24(21)31)28-19-12-8-11-17(23(19)30)26(33)29(2)3/h5-14,18,27-28,30H,4H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233584
PNG
(3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)cyclo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1 |w:2.2|
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3
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n/an/a 165n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233575
PNG
(5-(1-(2-(3-(dimethylcarbamoyl)-2-hydroxyphenylamin...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)C(=O)N(C)C |w:2.2|
Show InChI InChI=1S/C23H26N4O6/c1-6-13(15-10-11-16(33-15)23(32)27(4)5)24-17-18(21(30)20(17)29)25-14-9-7-8-12(19(14)28)22(31)26(2)3/h7-11,13,24-25,28H,6H2,1-5H3
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n/an/a 171n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233558
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxaz...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3/t12-/m1/s1
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n/an/a 171n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233580
PNG
(3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |w:2.2|
Show InChI InChI=1S/C20H21N3O4S/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 179n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233586
PNG
(2-hydroxy-3-(2-(1-(5-(hydroxymethyl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1 |w:2.2|
Show InChI InChI=1S/C21H23N3O6/c1-4-13(15-9-8-11(10-25)30-15)22-16-17(20(28)19(16)27)23-14-7-5-6-12(18(14)26)21(29)24(2)3/h5-9,13,22-23,25-26H,4,10H2,1-3H3
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n/an/a 182n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233562
PNG
(3-(3,4-dioxo-2-(1-(4-(thiophen-3-yl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccsc1 |w:2.2|
Show InChI InChI=1S/C24H23N3O5S/c1-4-16(18-10-14(11-32-18)13-8-9-33-12-13)25-19-20(23(30)22(19)29)26-17-7-5-6-15(21(17)28)24(31)27(2)3/h5-12,16,25-26,28H,4H2,1-3H3
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n/an/a 221n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233567
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxazol-3...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1 |w:2.2|
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3
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n/an/a 224n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233572
PNG
((R)-3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3/t11-/m1/s1
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n/an/a 244n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233581
PNG
(3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 275n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233556
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(3-methyl-1,2,4-oxa...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1nc(C)no1 |w:2.2|
Show InChI InChI=1S/C19H21N5O5/c1-5-11(18-20-9(2)23-29-18)21-13-14(17(27)16(13)26)22-12-8-6-7-10(15(12)25)19(28)24(3)4/h6-8,11,21-22,25H,5H2,1-4H3
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n/an/a 289n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233578
PNG
(2-hydroxy-3-(2-(1-(isoxazol-5-yl)propylamino)-3,4-...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccno1 |w:2.2|
Show InChI InChI=1S/C19H20N4O5/c1-4-11(13-8-9-20-28-13)21-14-15(18(26)17(14)25)22-12-7-5-6-10(16(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 302n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233590
PNG
(3-(2-(1-(4-(3,5-dimethylisoxazol-4-yl)furan-2-yl)p...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1c(C)noc1C |w:2.2|
Show InChI InChI=1S/C25H26N4O6/c1-6-16(18-10-14(11-34-18)19-12(2)28-35-13(19)3)26-20-21(24(32)23(20)31)27-17-9-7-8-15(22(17)30)25(33)29(4)5/h7-11,16,26-27,30H,6H2,1-5H3
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n/an/a 345n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233560
PNG
(3-(2-(1-(benzofuran-2-yl)propylamino)-3,4-dioxocyc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc2ccccc2o1 |w:2.2|
Show InChI InChI=1S/C24H23N3O5/c1-4-15(18-12-13-8-5-6-11-17(13)32-18)25-19-20(23(30)22(19)29)26-16-10-7-9-14(21(16)28)24(31)27(2)3/h5-12,15,25-26,28H,4H2,1-3H3
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n/an/a 412n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233588
PNG
(3-(2-(1-(5-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Br)o1 |w:2.2|
Show InChI InChI=1S/C20H20BrN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 463n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233587
PNG
(3-(3,4-dioxo-2-(1-(4-(pyridin-4-yl)furan-2-yl)prop...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccncc1 |w:2.2|
Show InChI InChI=1S/C25H24N4O5/c1-4-17(19-12-15(13-34-19)14-8-10-26-11-9-14)27-20-21(24(32)23(20)31)28-18-7-5-6-16(22(18)30)25(33)29(2)3/h5-13,17,27-28,30H,4H2,1-3H3
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n/an/a 526n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233568
PNG
(3-(2-(1-(5-(difluoromethyl)furan-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)C(F)F |w:2.2|
Show InChI InChI=1S/C21H21F2N3O5/c1-4-11(13-8-9-14(31-13)20(22)23)24-15-16(19(29)18(15)28)25-12-7-5-6-10(17(12)27)21(30)26(2)3/h5-9,11,20,24-25,27H,4H2,1-3H3
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n/an/a 568n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233583
PNG
(3-(3,4-dioxo-2-(1-(thiazol-2-yl)propylamino)cyclob...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1nccs1 |w:2.2|
Show InChI InChI=1S/C19H20N4O4S/c1-4-11(18-20-8-9-28-18)21-13-14(17(26)16(13)25)22-12-7-5-6-10(15(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 703n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233565
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(oxazol-2-yl)propyl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ncco1 |w:2.2|
Show InChI InChI=1S/C19H20N4O5/c1-4-11(18-20-8-9-28-18)21-13-14(17(26)16(13)25)22-12-7-5-6-10(15(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 795n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233569
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(oxazol-4-yl)propyl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cocn1 |w:2.2|
Show InChI InChI=1S/C19H20N4O5/c1-4-11(13-8-28-9-20-13)21-14-15(18(26)17(14)25)22-12-7-5-6-10(16(12)24)19(27)23(2)3/h5-9,11,21-22,24H,4H2,1-3H3
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n/an/a 805n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233552
PNG
(3-(2-(1-(furan-3-yl)propylamino)-3,4-dioxocyclobut...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccoc1 |w:2.2|
Show InChI InChI=1S/C20H21N3O5/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3
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n/an/a 812n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233585
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(1-methyl-1H-pyrrol...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccn1C |w:2.2|
Show InChI InChI=1S/C21H24N4O4/c1-5-13(15-10-7-11-25(15)4)22-16-17(20(28)19(16)27)23-14-9-6-8-12(18(14)26)21(29)24(2)3/h6-11,13,22-23,26H,5H2,1-4H3
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n/an/a 815n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233592
PNG
(3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CC)o1 |w:2.2|
Show InChI InChI=1S/C22H25N3O5/c1-5-12-10-11-16(30-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4/h7-11,14,23-24,26H,5-6H2,1-4H3
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n/an/a 854n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 917n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1-mediated chemotaxis in Ba/F3 cells expressing human CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233579
PNG
(3-(2-(1-(3-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1occc1Br |w:2.2|
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(19-11(21)8-9-29-19)22-14-15(18(27)17(14)26)23-13-7-5-6-10(16(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 1.02E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233557
PNG
(3-(2-(1-(5-chlorothiophen-2-yl)propylamino)-3,4-di...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)s1 |w:2.2|
Show InChI InChI=1S/C20H20ClN3O4S/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233564
PNG
(3-(2-(1-(3-chlorothiophen-2-yl)propylamino)-3,4-di...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1Cl |w:2.2|
Show InChI InChI=1S/C20H20ClN3O4S/c1-4-12(19-11(21)8-9-29-19)22-14-15(18(27)17(14)26)23-13-7-5-6-10(16(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 1.37E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233555
PNG
(3-(3,4-dioxo-2-(1-(pyridin-4-yl)propylamino)cyclob...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccncc1 |w:2.2|
Show InChI InChI=1S/C21H22N4O4/c1-4-14(12-8-10-22-11-9-12)23-16-17(20(28)19(16)27)24-15-7-5-6-13(18(15)26)21(29)25(2)3/h5-11,14,23-24,26H,4H2,1-3H3
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n/an/a 2.86E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233573
PNG
(3-(2-(1-(5-(3-chlorophenyl)furan-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(Cl)c1 |w:2.2|
Show InChI InChI=1S/C26H24ClN3O5/c1-4-17(20-12-11-19(35-20)14-7-5-8-15(27)13-14)28-21-22(25(33)24(21)32)29-18-10-6-9-16(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3
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n/an/a 3.38E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233582
PNG
(3-(3,4-dioxo-2-(1-(5-(3-(trifluoromethyl)phenyl)fu...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C27H24F3N3O5/c1-4-17(20-12-11-19(38-20)14-7-5-8-15(13-14)27(28,29)30)31-21-22(25(36)24(21)35)32-18-10-6-9-16(23(18)34)26(37)33(2)3/h5-13,17,31-32,34H,4H2,1-3H3
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n/an/a 3.43E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233591
PNG
(3-(2-(1-(5-(2-chlorophenyl)furan-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)-c1ccccc1Cl |w:2.2|
Show InChI InChI=1S/C26H24ClN3O5/c1-4-17(20-13-12-19(35-20)14-8-5-6-10-16(14)27)28-21-22(25(33)24(21)32)29-18-11-7-9-15(23(18)31)26(34)30(2)3/h5-13,17,28-29,31H,4H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.87E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233566
PNG
(3-(3,4-dioxo-2-(1-(5-(trifluoromethyl)furan-2-yl)p...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(o1)C(F)(F)F |w:2.2|
Show InChI InChI=1S/C21H20F3N3O5/c1-4-11(13-8-9-14(32-13)21(22,23)24)25-15-16(19(30)18(15)29)26-12-7-5-6-10(17(12)28)20(31)27(2)3/h5-9,11,25-26,28H,4H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.06E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Bioorg Med Chem Lett 18: 1318-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.024
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%