BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 254.7
BDBM50102227
Wt: 266.6
BDBM50102221
Wt: 264.6
BDBM50102215
Wt: 268.3
BDBM50131196
Wt: 267.3
BDBM50131203
Wt: 257.3
BDBM50131208
Wt: 253.2
BDBM50140792
Wt: 270.3
BDBM50177608
Wt: 255.3
BDBM50177609
Wt: 242.2
BDBM50203009
Wt: 262.6
BDBM50203014
Wt: 242.2
BDBM50203015
Wt: 253.2
BDBM50203029
Wt: 228.2
BDBM50203031
Wt: 242.2
BDBM50203034
Displayed 1 to 15 (of 926 total )  |  Next  |  Last  >>

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

Found 17 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, CXCR2


(Homo sapiens (Human))
BDBM50140792
PNG
(1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50140792
PNG
(1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 2 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
BindingDB Entry DOI: 10.7270/Q29G5M7Q
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203029
PNG
(1-(3-cyano-2-hydroxyphenyl)-3-phenylurea | CHEMBL2...)
Show SMILES Oc1c(NC(=O)Nc2ccccc2)cccc1C#N
Show InChI InChI=1S/C14H11N3O2/c15-9-10-5-4-8-12(13(10)18)17-14(19)16-11-6-2-1-3-7-11/h1-8,18H,(H2,16,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 276n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102221
PNG
(6-Chloro-N-(4-fluoro-phenyl)-1-oxy-nicotinamide | ...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C12H8ClFN2O2/c13-11-6-1-8(7-16(11)18)12(17)15-10-4-2-9(14)3-5-10/h1-7H,(H,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00326-2
BindingDB Entry DOI: 10.7270/Q2TX3DN0
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50131203
PNG
(2-Benzyl-5-phenyl-2H-[1,2,4]triazole-3-thiol | CHE...)
Show SMILES S=c1[nH]c(nn1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C15H13N3S/c19-15-16-14(13-9-5-2-6-10-13)17-18(15)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+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))
BDBM50131208
PNG
(2-Benzyl-5-furan-2-yl-2H-[1,2,4]triazole-3-thiol |...)
Show SMILES S=c1[nH]c(nn1Cc1ccccc1)-c1ccco1
Show InChI InChI=1S/C13H11N3OS/c18-13-14-12(11-7-4-8-17-11)15-16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20E+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))
BDBM50131196
PNG
(2-Benzyl-5-pyridin-4-yl-2H-[1,2,4]triazole-3-thiol...)
Show SMILES S=c1[nH]c(nn1Cc1ccccc1)-c1ccncc1
Show InChI InChI=1S/C14H12N4S/c19-14-16-13(12-6-8-15-9-7-12)17-18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.70E+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))
BDBM50177608
PNG
(2-amino-5-(pentylthio)thiazolo[4,5-d]pyrimidin-7-o...)
Show SMILES CCCCCSc1nc2nc(N)sc2c(=O)[nH]1
Show InChI InChI=1S/C10H14N4OS2/c1-2-3-4-5-16-10-13-7-6(8(15)14-10)17-9(11)12-7/h2-5H2,1H3,(H3,11,12,13,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2005.10.091
BindingDB Entry DOI: 10.7270/Q2D79B09
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2005.10.091
BindingDB Entry DOI: 10.7270/Q2D79B09
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102215
PNG
(6-Chloro-N-(2-hydroxy-phenyl)-1-oxy-nicotinamide |...)
Show SMILES Oc1ccccc1NC(=O)c1ccc(Cl)[n+]([O-])c1
Show InChI InChI=1S/C12H9ClN2O3/c13-11-6-5-8(7-15(11)18)12(17)14-9-3-1-2-4-10(9)16/h1-7,16H,(H,14,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00326-2
BindingDB Entry DOI: 10.7270/Q2TX3DN0
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50102227
PNG
(6-Chloro-N-cyclohexyl-1-oxy-nicotinamide | CHEMBL6...)
Show SMILES [O-][n+]1cc(ccc1Cl)C(=O)NC1CCCCC1
Show InChI InChI=1S/C12H15ClN2O2/c13-11-7-6-9(8-15(11)17)12(16)14-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Celltech R&D

Curated by ChEMBL


Assay Description
Evaluated using an SPA assay with recombinant human [125I]-IL-8 and membranes preparedfrom Sf9 cells expressing human CXCR2


Bioorg Med Chem Lett 11: 1951-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00326-2
BindingDB Entry DOI: 10.7270/Q2TX3DN0
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50140792
PNG
(1-(4-Cyano-2-hydroxy-phenyl)-3-phenyl-urea | 1-(4-...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of binding of IL-8 to membranes of cloned CXC chemokine receptor 1 expressed in CHO Cells using [125I]-IL-8 radioligand


J Med Chem 47: 1319-21 (2004)


Article DOI: 10.1021/jm034248l
BindingDB Entry DOI: 10.7270/Q29G5M7Q
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203009
PNG
(1-(2-hydroxy-4-methylphenyl)-3-phenylurea | CHEMBL...)
Show SMILES Cc1ccc(NC(=O)Nc2ccccc2)c(O)c1
Show InChI InChI=1S/C14H14N2O2/c1-10-7-8-12(13(17)9-10)16-14(18)15-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203014
PNG
(1-(5-chloro-2-hydroxyphenyl)-3-phenylurea | CHEMBL...)
Show SMILES Oc1ccc(Cl)cc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-6-7-12(17)11(8-9)16-13(18)15-10-4-2-1-3-5-10/h1-8,17H,(H2,15,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203015
PNG
(1-(2-hydroxy-5-methylphenyl)-3-phenylurea | CHEMBL...)
Show SMILES Cc1ccc(O)c(NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C14H14N2O2/c1-10-7-8-13(17)12(9-10)16-14(18)15-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203031
PNG
(1-(2-Hydroxy-phenyl)-3-phenyl-urea | 1-(2-hydroxyp...)
Show SMILES Oc1ccccc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O2/c16-12-9-5-4-8-11(12)15-13(17)14-10-6-2-1-3-7-10/h1-9,16H,(H2,14,15,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50203034
PNG
(1-(2-hydroxy-6-methylphenyl)-3-phenylurea | CHEMBL...)
Show SMILES Cc1cccc(O)c1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H14N2O2/c1-10-6-5-9-12(17)13(10)16-14(18)15-11-7-3-2-4-8-11/h2-9,17H,1H3,(H2,15,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1713-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.067
BindingDB Entry DOI: 10.7270/Q2Z320GC
More data for this
Ligand-Target Pair