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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 320.3
BDBM50113628
Wt: 306.3
BDBM50113636
Wt: 303.2
BDBM50219788
Wt: 365.3
BDBM50219790
Wt: 357.3
BDBM50219791
Wt: 334.3
BDBM50219793
Wt: 348.3
BDBM50219797
Wt: 334.3
BDBM50219798
Wt: 320.3
BDBM50219807
Wt: 304.2
BDBM50219809
Wt: 304.2
BDBM50219810
Wt: 318.2
BDBM50219811
Wt: 360.3
BDBM50219812
Wt: 268.3
BDBM50221043
Wt: 336.2
BDBM50221044
Displayed 1 to 15 (of 62 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 18 hits in this display   
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, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50221044
PNG
(CHEMBL309253)
Show SMILES Sc1nc(nn1Cc1cccc(Cl)c1)-c1ccccc1Cl
Show InChI InChI=1S/C15H11Cl2N3S/c16-11-5-3-4-10(8-11)9-20-15(21)18-14(19-20)12-6-1-2-7-13(12)17/h1-8H,9H2,(H,18,19,21)
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n/an/a<28n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]IL8 to human recombinant CXC chemokine receptor 2 (CXCR2) expressed in HEK 293 membranes


Bioorg Med Chem Lett 13: 2625-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00561-4
BindingDB Entry DOI: 10.7270/Q2B56J5K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50113628
PNG
(CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...)
Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 32n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50113628
PNG
(CHEMBL431511 | [5-(4-Fluoro-phenylcarbamoyl)-pyrid...)
Show SMILES COC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O3S/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 42n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219797
PNG
(CHEMBL36934)
Show SMILES CCCOC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C17H17FN2O3S/c1-2-9-23-16(21)11-24-15-8-3-12(10-19-15)17(22)20-14-6-4-13(18)5-7-14/h3-8,10H,2,9,11H2,1H3,(H,20,22)
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n/an/a 46n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219809
PNG
(CHEMBL36643)
Show SMILES COC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O4/c1-21-14(19)9-22-13-7-2-10(8-17-13)15(20)18-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 110n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219811
PNG
(CHEMBL39710)
Show SMILES CCOC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H15FN2O4/c1-2-22-15(20)10-23-14-8-3-11(9-18-14)16(21)19-13-6-4-12(17)5-7-13/h3-9H,2,10H2,1H3,(H,19,21)
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n/an/a 160n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219812
PNG
(CHEMBL36842)
Show SMILES CC(C)CCOC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2O4/c1-13(2)9-10-25-18(23)12-26-17-8-3-14(11-21-17)19(24)22-16-6-4-15(20)5-7-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,24)
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n/an/a 200n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219810
PNG
(CHEMBL288876)
Show SMILES COC(=O)COc1ccc(NC(=O)c2ccc(F)cc2)cn1
Show InChI InChI=1S/C15H13FN2O4/c1-21-14(19)9-22-13-7-6-12(8-17-13)18-15(20)10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,20)
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n/an/a 360n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219793
PNG
(CHEMBL289789)
Show SMILES COC(=O)CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H15FN2O3S/c1-22-15(20)8-9-23-14-7-2-11(10-18-14)16(21)19-13-5-3-12(17)4-6-13/h2-7,10H,8-9H2,1H3,(H,19,21)
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n/an/a 760n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219790
PNG
(CHEMBL39937)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3)nc2)cc1
Show InChI InChI=1S/C20H16FN3O3/c21-15-7-9-17(10-8-15)24-20(26)14-6-11-19(22-12-14)27-13-18(25)23-16-4-2-1-3-5-16/h1-12H,13H2,(H,23,25)(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50113636
PNG
(CHEMBL39835 | [5-(4-Fluoro-phenylcarbamoyl)-pyridi...)
Show SMILES OC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-IL-8 from CHO cell membranes expressing human CX3C chemokine receptor 2 (CXCR2 filter mat binding assay)


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50221043
PNG
(CHEMBL315771)
Show SMILES Sc1nc(nn1Cc1ccccc1)-c1cccnc1
Show InChI InChI=1S/C14H12N4S/c19-14-16-13(12-7-4-8-15-9-12)17-18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17,19)
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n/an/a<4.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]IL8 to human recombinant CXC chemokine receptor 2 (CXCR2) expressed in HEK 293 membranes


Bioorg Med Chem Lett 13: 2625-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00561-4
BindingDB Entry DOI: 10.7270/Q2B56J5K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50113636
PNG
(CHEMBL39835 | [5-(4-Fluoro-phenylcarbamoyl)-pyridi...)
Show SMILES OC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR2 in human PMNs assessed as inhibition of CXCL1-induced intracellular Ca2+ release by fluorescence based calcium flux assa...


J Med Chem 57: 8378-97 (2014)


Article DOI: 10.1021/jm500827t
BindingDB Entry DOI: 10.7270/Q2FX7C22
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219798
PNG
(CHEMBL39988)
Show SMILES OC(=O)CCCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H15FN2O3S/c17-12-4-6-13(7-5-12)19-16(22)11-3-8-14(18-10-11)23-9-1-2-15(20)21/h3-8,10H,1-2,9H2,(H,19,22)(H,20,21)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219807
PNG
(CHEMBL288457)
Show SMILES OC(=O)CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O3S/c16-11-2-4-12(5-3-11)18-15(21)10-1-6-13(17-9-10)22-8-7-14(19)20/h1-6,9H,7-8H2,(H,18,21)(H,19,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219791
PNG
(CHEMBL35938)
Show SMILES Fc1ccc(NC(=O)c2ccc(OCC(=O)NC3CCCC3)nc2)cc1
Show InChI InChI=1S/C19H20FN3O3/c20-14-6-8-16(9-7-14)23-19(25)13-5-10-18(21-11-13)26-12-17(24)22-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,22,24)(H,23,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50219788
PNG
(CHEMBL36797)
Show SMILES CNC(=O)COc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14FN3O3/c1-17-13(20)9-22-14-7-2-10(8-18-14)15(21)19-12-5-3-11(16)4-6-12/h2-8H,9H2,1H3,(H,17,20)(H,19,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2


(Homo sapiens (Human))
BDBM50113636
PNG
(CHEMBL39835 | [5-(4-Fluoro-phenylcarbamoyl)-pyridi...)
Show SMILES OC(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D Inc.

Curated by ChEMBL


Assay Description
Inhibition against GRO-alpha driven human neutrophil chemotaxis


Bioorg Med Chem Lett 12: 1517-20 (2002)


Article DOI: 10.1016/s0960-894x(02)00188-9
BindingDB Entry DOI: 10.7270/Q2JM28ZD
More data for this
Ligand-Target Pair