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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'kaiser' and Initial = 'b'   
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))
BDBM50187007
PNG
(5-chloro-3-(3,4-dioxo-2-(phenylamino)cyclobut-1-en...)
Show SMILES CN(C)C(=O)c1cc(Cl)cc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H16ClN3O4/c1-23(2)19(27)12-8-10(20)9-13(16(12)24)22-15-14(17(25)18(15)26)21-11-6-4-3-5-7-11/h3-9,21-22,24H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187004
PNG
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H17N3O4/c1-22(2)19(26)12-9-6-10-13(16(12)23)21-15-14(17(24)18(15)25)20-11-7-4-3-5-8-11/h3-10,20-21,23H,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(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 |r|
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/t13-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187002
PNG
(4-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES Oc1cc(ccc1Nc1c(Nc2ccccc2)c(=O)c1=O)C#N
Show InChI InChI=1S/C17H11N3O3/c18-9-10-6-7-12(13(21)8-10)20-15-14(16(22)17(15)23)19-11-4-2-1-3-5-11/h1-8,19-21H
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n/an/a 3n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200881
PNG
((R)-3-(2-(cyclopropyl(5-methylfuran-2-yl)methylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CC3)c3ccc(C)o3)c(=O)c2=O)c1O |r|
Show InChI InChI=1S/C22H23N3O5/c1-11-7-10-15(30-11)16(12-8-9-12)24-18-17(20(27)21(18)28)23-14-6-4-5-13(19(14)26)22(29)25(2)3/h4-7,10,12,16,23-24,26H,8-9H2,1-3H3/t16-/m1/s1
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n/an/a 3.60n/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
Interleukin-8 receptors, CXCR2


(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 |r|
Show InChI InChI=1S/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-/m0/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
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
Interleukin-8 receptors, CXCR2


(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 |r|
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/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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200885
PNG
((R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxo...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
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n/an/a 4.90n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187003
PNG
(3-(3,4-dioxo-2-(pentan-3-ylamino)cyclobut-1-enylam...)
Show SMILES CCC(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C18H23N3O4/c1-5-10(6-2)19-13-14(17(24)16(13)23)20-12-9-7-8-11(15(12)22)18(25)21(3)4/h7-10,19-20,22H,5-6H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200875
PNG
((R)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)propylamino)...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C23H23N3O6/c1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3/h5-10,14,24-25,27H,4,11H2,1-3H3/t14-/m1/s1
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n/an/a 5n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200877
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylthioph...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)s1 |r|
Show InChI InChI=1S/C21H23N3O4S/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-/m1/s1
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n/an/a 5.30n/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
Interleukin-8 receptors, CXCR2


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200887
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r|
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/t12-/m1/s1
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n/an/a 6n/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
Interleukin-8 receptors, CXCR2


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236053
PNG
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1
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n/an/a 6.80n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50186997
PNG
(3-(2-(cyclopentylamino)-3,4-dioxocyclobut-1-enylam...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC3CCCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C18H21N3O4/c1-21(2)18(25)11-8-5-9-12(15(11)22)20-14-13(16(23)17(14)24)19-10-6-3-4-7-10/h5,8-10,19-20,22H,3-4,6-7H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187016
PNG
(2-hydroxy-3-(2-(isopropylamino)-3,4-dioxocyclobut-...)
Show SMILES CC(C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C16H19N3O4/c1-8(2)17-11-12(15(22)14(11)21)18-10-7-5-6-9(13(10)20)16(23)19(3)4/h5-8,17-18,20H,1-4H3
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n/an/a 10n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187015
PNG
(3-(2-(cyclohexylamino)-3,4-dioxocyclobut-1-enylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC3CCCCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H23N3O4/c1-22(2)19(26)12-9-6-10-13(16(12)23)21-15-14(17(24)18(15)25)20-11-7-4-3-5-8-11/h6,9-11,20-21,23H,3-5,7-8H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187014
PNG
(3-(2-(tert-butylamino)-3,4-dioxocyclobut-1-enylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C)(C)C)c(=O)c2=O)c1O
Show InChI InChI=1S/C17H21N3O4/c1-17(2,3)19-12-11(14(22)15(12)23)18-10-8-6-7-9(13(10)21)16(24)20(4)5/h6-8,18-19,21H,1-5H3
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n/an/a 14n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187003
PNG
(3-(3,4-dioxo-2-(pentan-3-ylamino)cyclobut-1-enylam...)
Show SMILES CCC(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C18H23N3O4/c1-5-10(6-2)19-13-14(17(24)16(13)23)20-12-9-7-8-11(15(12)22)18(25)21(3)4/h7-10,19-20,22H,5-6H2,1-4H3
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n/an/a 15n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200876
PNG
((S)-3-(3,4-dioxo-2-(1-phenylethylamino)cyclobut-1-...)
Show SMILES C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H21N3O4/c1-12(13-8-5-4-6-9-13)22-16-17(20(27)19(16)26)23-15-11-7-10-14(18(15)25)21(28)24(2)3/h4-12,22-23,25H,1-3H3/t12-/m0/s1
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n/an/a 17n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187010
PNG
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES CNC(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C18H15N3O4/c1-19-18(25)11-8-5-9-12(15(11)22)21-14-13(16(23)17(14)24)20-10-6-3-2-4-7-10/h2-9,20-22H,1H3,(H,19,25)
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n/an/a 22n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(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 |r|
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/t12-/m1/s1
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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
Chemokine receptor type 1 (CXCR1)


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187011
PNG
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES NC(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C17H13N3O4/c18-17(24)10-7-4-8-11(14(10)21)20-13-12(15(22)16(13)23)19-9-5-2-1-3-6-9/h1-8,19-21H,(H2,18,24)
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n/an/a 34n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(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 |r|
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/t13-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187001
PNG
(3-(2-hydroxy-4-nitrophenylamino)-4-(phenylamino)cy...)
Show SMILES Oc1cc(ccc1Nc1c(Nc2ccccc2)c(=O)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H11N3O5/c20-12-8-10(19(23)24)6-7-11(12)18-14-13(15(21)16(14)22)17-9-4-2-1-3-5-9/h1-8,17-18,20H
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n/an/a 36n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50186999
PNG
(3-(2-(furan-2-ylmethylamino)-3,4-dioxocyclobut-1-e...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NCc3ccco3)c(=O)c2=O)c1O
Show InChI InChI=1S/C18H17N3O5/c1-21(2)18(25)11-6-3-7-12(15(11)22)20-14-13(16(23)17(14)24)19-9-10-5-4-8-26-10/h3-8,19-20,22H,9H2,1-2H3
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n/an/a 41n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50236053
PNG
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1
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n/an/a 48n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187017
PNG
(CHEMBL380052 | methyl 3-(3,4-dioxo-2-(phenylamino)...)
Show SMILES COC(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C18H14N2O5/c1-25-18(24)11-8-5-9-12(15(11)21)20-14-13(16(22)17(14)23)19-10-6-3-2-4-7-10/h2-9,19-21H,1H3
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n/an/a 53n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200881
PNG
((R)-3-(2-(cyclopropyl(5-methylfuran-2-yl)methylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CC3)c3ccc(C)o3)c(=O)c2=O)c1O |r|
Show InChI InChI=1S/C22H23N3O5/c1-11-7-10-15(30-11)16(12-8-9-12)24-18-17(20(27)21(18)28)23-14-6-4-5-13(19(14)26)22(29)25(2)3/h4-7,10,12,16,23-24,26H,8-9H2,1-3H3/t16-/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
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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50186998
PNG
(3-(2-hydroxy-5-nitrophenylamino)-4-(phenylamino)cy...)
Show SMILES Oc1ccc(cc1Nc1c(Nc2ccccc2)c(=O)c1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H11N3O5/c20-12-7-6-10(19(23)24)8-11(12)18-14-13(15(21)16(14)22)17-9-4-2-1-3-5-9/h1-8,17-18,20H
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n/an/a 56n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187019
PNG
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES CCNC(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C19H17N3O4/c1-2-20-19(26)12-9-6-10-13(16(12)23)22-15-14(17(24)18(15)25)21-11-7-4-3-5-8-11/h3-10,21-23H,2H2,1H3,(H,20,26)
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n/an/a 65n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187009
PNG
(3-(3,4-dioxo-2-(phenylamino)cyclobut-1-enylamino)-...)
Show SMILES Oc1ccc(cc1Nc1c(Nc2ccccc2)c(=O)c1=O)C#N
Show InChI InChI=1S/C17H11N3O3/c18-9-10-6-7-13(21)12(8-10)20-15-14(16(22)17(15)23)19-11-4-2-1-3-5-11/h1-8,19-21H
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n/an/a 74n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200887
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1 |r|
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/t12-/m1/s1
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n/an/a 81n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187012
PNG
(CHEMBL436940 | N-benzyl-3-(3,4-dioxo-2-(phenylamin...)
Show SMILES Oc1c(Nc2c(Nc3ccccc3)c(=O)c2=O)cccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19N3O4/c28-21-17(24(31)25-14-15-8-3-1-4-9-15)12-7-13-18(21)27-20-19(22(29)23(20)30)26-16-10-5-2-6-11-16/h1-13,26-28H,14H2,(H,25,31)
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n/an/a 139n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200875
PNG
((R)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)propylamino)...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C23H23N3O6/c1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3/h5-10,14,24-25,27H,4,11H2,1-3H3/t14-/m1/s1
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n/an/a 145n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187020
PNG
(3-(3,4-dioxo-2-(tetrahydro-2H-pyran-4-ylamino)cycl...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC3CCOCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C18H21N3O5/c1-21(2)18(25)11-4-3-5-12(15(11)22)20-14-13(16(23)17(14)24)19-10-6-8-26-9-7-10/h3-5,10,19-20,22H,6-9H2,1-2H3
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n/an/a 171n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200885
PNG
((R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxo...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
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n/an/a 197n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200883
PNG
((S)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)
Show SMILES CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m0/s1
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n/an/a 234n/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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200877
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylthioph...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)s1 |r|
Show InChI InChI=1S/C21H23N3O4S/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-/m1/s1
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n/an/a 235n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200884
PNG
(3-(2-(benzylamino)-3,4-dioxocyclobut-1-enylamino)-...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O
Show InChI InChI=1S/C20H19N3O4/c1-23(2)20(27)13-9-6-10-14(17(13)24)22-16-15(18(25)19(16)26)21-11-12-7-4-3-5-8-12/h3-10,21-22,24H,11H2,1-2H3
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n/an/a 236n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50200876
PNG
((S)-3-(3,4-dioxo-2-(1-phenylethylamino)cyclobut-1-...)
Show SMILES C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C21H21N3O4/c1-12(13-8-5-4-6-9-13)22-16-17(20(27)19(16)26)23-15-11-7-10-14(18(15)25)21(28)24(2)3/h4-12,22-23,25H,1-3H3/t12-/m0/s1
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n/an/a 244n/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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50236053
PNG
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1
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n/an/a 254n/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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187006
PNG
(3-(2-hydroxyphenylamino)-4-(phenylamino)cyclobut-3...)
Show SMILES Oc1ccccc1Nc1c(Nc2ccccc2)c(=O)c1=O
Show InChI InChI=1S/C16H12N2O3/c19-12-9-5-4-8-11(12)18-14-13(15(20)16(14)21)17-10-6-2-1-3-7-10/h1-9,17-19H
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n/an/a 476n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50187008
PNG
((R)-3-(2-(2,3-dihydro-1H-inden-1-ylamino)-3,4-diox...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H]3CCc4ccccc34)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H21N3O4/c1-25(2)22(29)14-8-5-9-16(19(14)26)24-18-17(20(27)21(18)28)23-15-11-10-12-6-3-4-7-13(12)15/h3-9,15,23-24,26H,10-11H2,1-2H3/t15-/m1/s1
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n/an/a 548n/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4107-10 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.082
BindingDB Entry DOI: 10.7270/Q24X57DB
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(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 |r|
Show InChI InChI=1S/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-/m1/s1
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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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50187003
PNG
(3-(3,4-dioxo-2-(pentan-3-ylamino)cyclobut-1-enylam...)
Show SMILES CCC(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O
Show InChI InChI=1S/C18H23N3O4/c1-5-10(6-2)19-13-14(17(24)16(13)23)20-12-9-7-8-11(15(12)22)18(25)21(3)4/h7-10,19-20,22H,5-6H2,1-4H3
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n/an/a 910n/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
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