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Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'mayer-ezel' and Initial = 'r'   
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
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n/an/a 1.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442690
PNG
(CHEMBL2442296)
Show SMILES NCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C18H17N5/c19-8-9-20-17-7-10-23-18(22-17)16(12-21-23)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,10-12H,8-9,19H2,(H,20,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442685
PNG
(CHEMBL2442301)
Show SMILES CCN1CCCC1CNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C23H25N5/c1-2-27-12-5-8-20(27)15-24-22-11-13-28-23(26-22)21(16-25-28)19-10-9-17-6-3-4-7-18(17)14-19/h3-4,6-7,9-11,13-14,16,20H,2,5,8,12,15H2,1H3,(H,24,26)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
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n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442679
PNG
(CHEMBL2442302)
Show SMILES NCCNc1ccn2ncc(-c3ccc4sccc4c3)c2n1
Show InChI InChI=1S/C16H15N5S/c17-5-6-18-15-3-7-21-16(20-15)13(10-19-21)11-1-2-14-12(9-11)4-8-22-14/h1-4,7-10H,5-6,17H2,(H,18,20)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
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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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))
BDBM50233586
PNG
(2-hydroxy-3-(2-(1-(5-(hydroxymethyl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1 |w:2.2|
Show InChI InChI=1S/C21H23N3O6/c1-4-13(15-9-8-11(10-25)30-15)22-16-17(20(28)19(16)27)23-14-7-5-6-12(18(14)26)21(29)24(2)3/h5-9,13,22-23,25-26H,4,10H2,1-3H3
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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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442692
PNG
(CHEMBL2442317)
Show SMILES N[C@@H]1CCCC[C@H]1Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r|
Show InChI InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442693
PNG
(CHEMBL2442316)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r,wU:1.0,wD:4.7,(62.54,-18.45,;63.88,-17.68,;63.89,-16.14,;65.21,-15.38,;66.54,-16.16,;66.55,-17.69,;65.21,-18.46,;67.88,-15.39,;69.21,-16.16,;69.21,-17.7,;70.54,-18.47,;71.87,-17.7,;73.35,-18.18,;74.26,-16.93,;73.35,-15.67,;73.83,-14.21,;72.8,-13.07,;73.27,-11.61,;74.78,-11.28,;75.24,-9.82,;76.76,-9.51,;77.8,-10.65,;77.32,-12.12,;75.81,-12.43,;75.34,-13.89,;71.87,-16.15,;70.54,-15.39,)|
Show InChI InChI=1S/C22H23N5/c23-18-7-9-19(10-8-18)25-21-11-12-27-22(26-21)20(14-24-27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19H,7-10,23H2,(H,25,26)/t18-,19-
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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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
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233561
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3/t13-/m1/s1
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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
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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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
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))
BDBM50233574
PNG
((R)-3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
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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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))
BDBM50233592
PNG
(3-(2-(1-(5-ethylfuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CC)o1 |w:2.2|
Show InChI InChI=1S/C22H25N3O5/c1-5-12-10-11-16(30-12)14(6-2)23-17-18(21(28)20(17)27)24-15-9-7-8-13(19(15)26)22(29)25(3)4/h7-11,14,23-24,26H,5-6H2,1-4H3
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n/an/a 4.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442681
PNG
(CHEMBL2442290)
Show SMILES NCCNc1ccn2ncc(-c3cccc(c3)-c3ccco3)c2n1
Show InChI InChI=1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442686
PNG
(CHEMBL2442300)
Show SMILES CN(C)CCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C20H21N5/c1-24(2)12-10-21-19-9-11-25-20(23-19)18(14-22-25)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,21,23)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442687
PNG
(CHEMBL2442299)
Show SMILES NCCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C19H19N5/c20-9-3-10-21-18-8-11-24-19(23-18)17(13-22-24)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-8,11-13H,3,9-10,20H2,(H,21,23)
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n/an/a 5.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
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))
BDBM50233553
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |w:2.2|
Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3
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n/an/a 5.70n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
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))
BDBM50233570
PNG
(3-(3,4-dioxo-2-(1-(4-phenylfuran-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccccc1 |w:2.2|
Show InChI InChI=1S/C26H25N3O5/c1-4-18(20-13-16(14-34-20)15-9-6-5-7-10-15)27-21-22(25(32)24(21)31)28-19-12-8-11-17(23(19)30)26(33)29(2)3/h5-14,18,27-28,30H,4H2,1-3H3
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n/an/a 6.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
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))
BDBM50233558
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxaz...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3/t12-/m1/s1
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n/an/a 6.30n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442691
PNG
(CHEMBL2442295)
Show SMILES C1CN(CCN1)c1ccn2ncc(-c3ccc4ccccc4c3)c2n1
Show InChI InChI=1S/C20H19N5/c1-2-4-16-13-17(6-5-15(16)3-1)18-14-22-25-10-7-19(23-20(18)25)24-11-8-21-9-12-24/h1-7,10,13-14,21H,8-9,11-12H2
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442698
PNG
(CHEMBL2442287)
Show SMILES CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1
Show InChI InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442678
PNG
(CHEMBL2442303)
Show SMILES NCCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1
Show InChI InChI=1S/C15H14N6S/c16-4-5-17-14-3-6-21-15(20-14)11(8-19-21)10-1-2-13-12(7-10)18-9-22-13/h1-3,6-9H,4-5,16H2,(H,17,20)
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50442677
PNG
(CHEMBL2442304)
Show SMILES NCCNc1ccn2ncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2n1
Show InChI InChI=1S/C15H15N7O/c16-4-5-17-13-3-6-22-14(21-13)10(8-18-22)9-1-2-11-12(7-9)20-15(23)19-11/h1-3,6-8H,4-5,16H2,(H,17,21)(H2,19,20,23)
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n/an/a 7.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50442673
PNG
(CHEMBL2442291)
Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12
Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
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n/an/a 7.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...


Bioorg Med Chem Lett 23: 6178-82 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.110
BindingDB Entry DOI: 10.7270/Q2MS3V69
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR2


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


Article DOI: 10.1016/j.bmcl.2008.01.024
BindingDB Entry DOI: 10.7270/Q2PV6K33
More data for this
Ligand-Target Pair
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