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23 similar compounds to monomer 50248280

Compile data set for download or QSAR
Wt: 383.3
BDBM50200878
Wt: 397.4
BDBM50200880
Purchase
Wt: 425.4
BDBM50200882
Wt: 383.3
BDBM50200886
Wt: 411.4
BDBM50200888
Wt: 465.4
BDBM50211463
Wt: 397.4
BDBM50233553
Wt: 440.4
BDBM50233559
Wt: 383.3
BDBM50233563
Wt: 451.3
BDBM50233566
Wt: 433.4
BDBM50233568
Wt: 411.4
BDBM50233592
Wt: 433.4
BDBM50248400
Wt: 433.4
BDBM50248401
Wt: 457.7
BDBM50248500
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50200878,50200880,50200882,50200886,50200888,50211463,50233553,50233559,50233563,50233566,50233568,50233592,50248400,50248401,50248500   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of human [125I]IL-8 from human CXCR2


Bioorg Med Chem Lett 19: 4446-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.049
BindingDB Entry DOI: 10.7270/Q2H1323X
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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5n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50248400
PNG
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1/C21H21F2N3O5/c1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/s2
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50211463
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(4-isopropyl...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O5/c1-10(2)11-8-14(33-9-11)20(22(23,24)25)27-16-15(18(30)19(16)31)26-13-7-5-6-12(17(13)29)21(32)28(3)4/h5-10,20,26-27,29H,1-4H3/t20-/m0/s1
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6n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50248401
PNG
((S)-3-(2-(2,2-difluoro-1-(4-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(C)co3)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1/C21H21F2N3O5/c1-10-8-13(31-9-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/s2
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6n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50248500
PNG
((S)-3-(2-(1-(5-chlorofuran-2-yl)-2,2,2-trifluoroet...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1/C19H15ClF3N3O5/c1-26(2)18(30)8-4-3-5-9(14(8)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)10-6-7-11(20)31-10/h3-7,17,24-25,27H,1-2H3/t17-/s2
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7n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50248400
PNG
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1/C21H21F2N3O5/c1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/s2
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10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50248401
PNG
((S)-3-(2-(2,2-difluoro-1-(4-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(C)co3)C(C)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1/C21H21F2N3O5/c1-10-8-13(31-9-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/s2
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50211463
PNG
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(4-isopropyl...)
Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(F)(F)F
Show InChI InChI=1S/C22H22F3N3O5/c1-10(2)11-8-14(33-9-11)20(22(23,24)25)27-16-15(18(30)19(16)31)26-13-7-5-6-12(17(13)29)21(32)28(3)4/h5-10,20,26-27,29H,1-4H3/t20-/m0/s1
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16n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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18n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 3778-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.016
BindingDB Entry DOI: 10.7270/Q25D8RH5
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50248500
PNG
((S)-3-(2-(1-(5-chlorofuran-2-yl)-2,2,2-trifluoroet...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O
Show InChI InChI=1/C19H15ClF3N3O5/c1-26(2)18(30)8-4-3-5-9(14(8)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)10-6-7-11(20)31-10/h3-7,17,24-25,27H,1-2H3/t17-/s2
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34n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1 (unknown origin)


Bioorg Med Chem Lett 19: 1431-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Mus musculus)
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
Show InChI InChI=1/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 8.10n/an/an/an/an/an/a



GSK Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in C57 mouse whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 1 hr followed...


J Med Chem 61: 2518-2532 (2018)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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n/an/a 450n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human whole blood by CD11b assay


Bioorg Med Chem Lett 24: 5493-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.003
BindingDB Entry DOI: 10.7270/Q21V5GKV
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200878
PNG
((R)-3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocycl...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1
Show InChI InChI=1/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/t12-/s2
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n/an/a 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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n/an/a 2.60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200882
PNG
((R)-3-(2-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O
Show InChI InChI=1/C23H27N3O5/c1-12-10-11-15(31-12)21(23(2,3)4)25-17-16(19(28)20(17)29)24-14-9-7-8-13(18(14)27)22(30)26(5)6/h7-11,21,24-25,27H,1-6H3/t21-/s2
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200886
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/C20H21N3O5/c1-10-8-9-14(28-10)11(2)21-15-16(19(26)18(15)25)22-13-7-5-6-12(17(13)24)20(27)23(3)4/h5-9,11,21-22,24H,1-4H3/t11-/s2
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n/an/a 775n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200888
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/C22H25N3O5/c1-11(2)16(15-10-9-12(3)30-15)24-18-17(20(27)21(18)28)23-14-8-6-7-13(19(14)26)22(29)25(4)5/h6-11,16,23-24,26H,1-5H3/t16-/s2
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n/an/a 6.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200888
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/C22H25N3O5/c1-11(2)16(15-10-9-12(3)30-15)24-18-17(20(27)21(18)28)23-14-8-6-7-13(19(14)26)22(29)25(4)5/h6-11,16,23-24,26H,1-5H3/t16-/s2
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200886
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/C20H21N3O5/c1-10-8-9-14(28-10)11(2)21-15-16(19(26)18(15)25)22-13-7-5-6-12(17(13)24)20(27)23(3)4/h5-9,11,21-22,24H,1-4H3/t11-/s2
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n/an/a 2.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCL1-induced human neutrophil chemotaxis


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200878
PNG
((R)-3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocycl...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1
Show InChI InChI=1/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/t12-/s2
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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n/an/a 36n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200886
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES C[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/C20H21N3O5/c1-10-8-9-14(28-10)11(2)21-15-16(19(26)18(15)25)22-13-7-5-6-12(17(13)24)20(27)23(3)4/h5-9,11,21-22,24H,1-4H3/t11-/s2
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n/an/a 5.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR2 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200882
PNG
((R)-3-(2-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O
Show InChI InChI=1/C23H27N3O5/c1-12-10-11-15(31-12)21(23(2,3)4)25-17-16(19(28)20(17)29)24-14-9-7-8-13(18(14)27)22(30)26(5)6/h7-11,21,24-25,27H,1-6H3/t21-/s2
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


J Med Chem 49: 7603-6 (2006)


Article DOI: 10.1021/jm0609622
BindingDB Entry DOI: 10.7270/Q2KW5GVR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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n/an/a 0.0490n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


J Med Chem 55: 9363-92 (2012)


Article DOI: 10.1021/jm300682j
BindingDB Entry DOI: 10.7270/Q2862HKR
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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n/an/a 3.90n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


J Med Chem 55: 9363-92 (2012)


Article DOI: 10.1021/jm300682j
BindingDB Entry DOI: 10.7270/Q2862HKR
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50200880
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1/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/t13-/s2
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n/an/a<1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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 680n/an/an/an/an/an/a



GSK Pharmaceuticals R&D

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human whole blood assessed as inhibition of GROalpha-stimulated CD11b upregulation preincubated for 15 mins followed ...


J Med Chem 61: 2518-2532 (2018)

More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(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
Show InChI InChI=1/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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(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
Show InChI InChI=1/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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair