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Compile Data Set for Download or QSAR

Found 516 hits with Last Name = 'wood' and Initial = 'er'   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306097
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-indazol-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r|
Show InChI InChI=1S/C29H27N5O2/c1-17-25-12-19(7-8-28(25)34-33-17)26-13-22(15-32-29(26)23-9-10-35-18(23)2)36-16-21(30)11-20-14-31-27-6-4-3-5-24(20)27/h3-10,12-15,21,31H,11,16,30H2,1-2H3,(H,33,34)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306095
PNG
((S)-1-(6-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3cc(F)ccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H24FN5O2/c1-16-24-9-17(2-5-26(24)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-27-10-20(29)3-4-23(19)27/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256016
PNG
(CHEMBL475768 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C27H24ClFN4O4S2/c1-39(34,35)10-9-30-14-20-6-8-24(37-20)25-13-22-26(38-25)27(32-16-31-22)33-19-5-7-23(21(28)12-19)36-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30H,9-10,14-15H2,1H3,(H,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306094
PNG
((S)-1-(7-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3c(F)cccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H24FN5O2/c1-16-23-10-17(5-6-26(23)34-33-16)24-11-21(13-32-27(24)18-7-8-35-14-18)36-15-20(30)9-19-12-31-28-22(19)3-2-4-25(28)29/h2-8,10-14,20,31H,9,15,30H2,1H3,(H,33,34)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM25004
PNG
(3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50305878
PNG
((2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H25N5O2/c1-17-24-11-18(6-7-27(24)33-32-17)25-12-22(14-31-28(25)19-8-9-34-15-19)35-16-21(29)10-20-13-30-26-5-3-2-4-23(20)26/h2-9,11-15,21,30H,10,16,29H2,1H3,(H,32,33)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM24994
PNG
(4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...)
Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306096
PNG
((S)-1-(5-fluoro-1H-indol-3-yl)-3-(6-(furan-3-yl)-5...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccc(F)cc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C28H24FN5O2/c1-16-23-9-17(2-4-27(23)34-33-16)25-11-22(13-32-28(25)18-6-7-35-14-18)36-15-21(30)8-19-12-31-26-5-3-20(29)10-24(19)26/h2-7,9-14,21,31H,8,15,30H2,1H3,(H,33,34)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256032
PNG
(CHEMBL475594 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CN(C)Cc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C26H22ClFN4O2S/c1-32(2)13-19-7-9-23(34-19)24-12-21-25(35-24)26(30-15-29-21)31-18-6-8-22(20(27)11-18)33-14-16-4-3-5-17(28)10-16/h3-12,15H,13-14H2,1-2H3,(H,29,30,31)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50142026
PNG
(3-((1-methyl-1H-indol-3-yl)methylene)-1H-pyrrolo[3...)
Show SMILES Cn1cc(\C=C2/C(=O)Nc3cccnc23)c2ccccc12
Show InChI InChI=1S/C17H13N3O/c1-20-10-11(12-5-2-3-7-15(12)20)9-13-16-14(19-17(13)21)6-4-8-18-16/h2-10H,1H3,(H,19,21)/b13-9-
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25013
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)
Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25009
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(2-aminoetho...)
Show SMILES CCn1c(nc2c(ncc(OCCN)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-4-24-14-11(26-8-7-18)9-20-10(5-6-17(2,3)25)12(14)21-16(24)13-15(19)23-27-22-13/h9,25H,4,7-8,18H2,1-3H3,(H2,19,23)
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n/an/a 2n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25004
PNG
(3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
Show InChI InChI=1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256034
PNG
((5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)t...)
Show SMILES OCc1ccc(o1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C24H17ClFN3O3S/c25-18-9-16(4-6-20(18)31-12-14-2-1-3-15(26)8-14)29-24-23-19(27-13-28-24)10-22(33-23)21-7-5-17(11-30)32-21/h1-10,13,30H,11-12H2,(H,27,28,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256035
PNG
(2-((5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamin...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3ccc(CNCC#N)o3)cc2Cl)c1
Show InChI InChI=1S/C26H19ClFN5O2S/c27-20-11-18(4-6-22(20)34-14-16-2-1-3-17(28)10-16)33-26-25-21(31-15-32-26)12-24(36-25)23-7-5-19(35-23)13-30-9-8-29/h1-7,10-12,15,30H,9,13-14H2,(H,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256036
PNG
(CHEMBL474431 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CS(=O)(=O)CCNCc1cc(cs1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C27H24ClFN4O3S3/c1-39(34,35)8-7-30-13-21-10-18(15-37-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-6-24(22(28)11-20)36-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306084
PNG
(2-(5-((S)-2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
Show InChI InChI=1S/C28H25ClN4O2/c1-17-23-12-19(7-9-26(23)33-32-17)24-14-22(35-16-21(30)11-18-5-3-2-4-6-18)15-31-28(24)25-13-20(29)8-10-27(25)34/h2-10,12-15,21,34H,11,16,30H2,1H3,(H,32,33)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24994
PNG
(4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,...)
Show SMILES CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25014
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3R...)
Show SMILES CCn1c(nc2c(ncc(OC[C@@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m1/s1
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25016
PNG
((2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-et...)
Show SMILES CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H29N7O5/c1-4-28-18-15(32-9-5-8-23-10-13(30)12-29)11-24-14(6-7-21(2,3)31)16(18)25-20(28)17-19(22)27-33-26-17/h11,13,23,29-31H,4-5,8-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM24991
PNG
(4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r|
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25010
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[(3S)-3-amin...)
Show SMILES CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C25H29N7O3/c1-4-32-22-19(34-13-11-17(26)14-16-8-6-5-7-9-16)15-28-18(10-12-25(2,3)33)20(22)29-24(32)21-23(27)31-35-30-21/h5-9,15,17,33H,4,11,13-14,26H2,1-3H3,(H2,27,31)/t17-/m1/s1
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n/an/a 3n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256017
PNG
(CHEMBL475769 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CS(=O)(=O)CCNCc1cc(co1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C27H24ClFN4O4S2/c1-39(34,35)8-7-30-13-21-10-18(15-36-21)25-12-23-26(38-25)27(32-16-31-23)33-20-5-6-24(22(28)11-20)37-14-17-3-2-4-19(29)9-17/h2-6,9-12,15-16,30H,7-8,13-14H2,1H3,(H,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25010
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[(3S)-3-amin...)
Show SMILES CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C25H29N7O3/c1-4-32-22-19(34-13-11-17(26)14-16-8-6-5-7-9-16)15-28-18(10-12-25(2,3)33)20(22)29-24(32)21-23(27)31-35-30-21/h5-9,15,17,33H,4,11,13-14,26H2,1-3H3,(H2,27,31)/t17-/m1/s1
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256038
PNG
(CHEMBL473437 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CN(C)Cc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C26H23ClFN5OS/c1-33(2)13-19-6-8-21(31-19)24-12-22-25(35-24)26(30-15-29-22)32-18-7-9-23(20(27)11-18)34-14-16-4-3-5-17(28)10-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,30,32)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256033
PNG
(CHEMBL475761 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CN1CCN(Cc2ccc(o2)-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)CC1
Show InChI InChI=1S/C29H27ClFN5O2S/c1-35-9-11-36(12-10-35)16-22-6-8-26(38-22)27-15-24-28(39-27)29(33-18-32-24)34-21-5-7-25(23(30)14-21)37-17-19-3-2-4-20(31)13-19/h2-8,13-15,18H,9-12,16-17H2,1H3,(H,32,33,34)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25015
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{...)
Show SMILES CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C27H33N7O4/c1-5-34-24-21(37-16-6-14-29-15-12-18-7-9-19(36-4)10-8-18)17-30-20(11-13-27(2,3)35)22(24)31-26(34)23-25(28)33-38-32-23/h7-10,17,29,35H,5-6,12,14-16H2,1-4H3,(H2,28,33)
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n/an/a 5n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24991
PNG
(4-(7-{[(3R)-3-aminopyrrolidin-1-yl]carbonyl}-1-eth...)
Show SMILES CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r|
Show InChI InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21)/t8-/m1/s1
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24990
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-[2-(met...)
Show SMILES CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N
Show InChI InChI=1S/C14H18N8O2/c1-3-22-11-8(14(23)18-5-4-16-2)6-17-7-9(11)19-13(22)10-12(15)21-24-20-10/h6-7,16H,3-5H2,1-2H3,(H2,15,21)(H,18,23)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25016
PNG
((2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-et...)
Show SMILES CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r|
Show InChI InChI=1S/C21H29N7O5/c1-4-28-18-15(32-9-5-8-23-10-13(30)12-29)11-24-14(6-7-21(2,3)31)16(18)25-20(28)17-19(22)27-33-26-17/h11,13,23,29-31H,4-5,8-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256039
PNG
(CHEMBL473438 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C26H23ClFN5OS/c1-2-29-13-19-6-8-21(32-19)24-12-22-25(35-24)26(31-15-30-22)33-18-7-9-23(20(27)11-18)34-14-16-4-3-5-17(28)10-16/h3-12,15,29,32H,2,13-14H2,1H3,(H,30,31,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50256040
PNG
(CHEMBL480349 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C27H24ClFN4O4S2/c1-39(34,35)10-9-30-14-20-6-8-24(37-20)25-13-21-26(31-16-32-27(21)38-25)33-19-5-7-23(22(28)12-19)36-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30H,9-10,14-15H2,1H3,(H,31,32,33)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ErbB2


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50142023
PNG
(3-(5-Hydroxy-indan-1-ylidene)-1,3-dihydro-indol-2-...)
Show SMILES Oc1ccc2\C(CCc2c1)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H13NO2/c19-11-6-8-12-10(9-11)5-7-13(12)16-14-3-1-2-4-15(14)18-17(16)20/h1-4,6,8-9,19H,5,7H2,(H,18,20)/b16-13-
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM25005
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25003
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C18H23N7O3/c1-4-25-15-12(27-9-5-8-19)10-21-11(6-7-18(2,3)26)13(15)22-17(25)14-16(20)24-28-23-14/h10,26H,4-5,8-9,19H2,1-3H3,(H2,20,24)
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n/an/a 6n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25015
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{...)
Show SMILES CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C27H33N7O4/c1-5-34-24-21(37-16-6-14-29-15-12-18-7-9-19(36-4)10-8-18)17-30-20(11-13-27(2,3)35)22(24)31-26(34)23-25(28)33-38-32-23/h7-10,17,29,35H,5-6,12,14-16H2,1-4H3,(H2,28,33)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1 (ROCK I)


(Rattus norvegicus (Rat))
BDBM24995
PNG
(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-N-(piperi...)
Show SMILES CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C16H20N8O2/c1-2-24-13-10(16(25)20-9-3-5-18-6-4-9)7-19-8-11(13)21-15(24)12-14(17)23-26-22-12/h7-9,18H,2-6H2,1H3,(H2,17,23)(H,20,25)
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GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50366932
PNG
(CHEMBL1794058)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.11|
Show InChI InChI=1S/C16H15N3O3S/c1-23(21,22)19-12-8-6-11(7-9-12)17-10-14-13-4-2-3-5-15(13)18-16(14)20/h2-10,14,19H,1H3,(H,18,20)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256020
PNG
(CHEMBL475446 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES CS(=O)(=O)CCNCc1ccc([nH]1)-c1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
Show InChI InChI=1S/C27H25ClFN5O3S2/c1-39(35,36)10-9-30-14-20-5-7-22(33-20)25-13-23-26(38-25)27(32-16-31-23)34-19-6-8-24(21(28)12-19)37-15-17-3-2-4-18(29)11-17/h2-8,11-13,16,30,33H,9-10,14-15H2,1H3,(H,31,32,34)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM27973
PNG
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|
Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1
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n/an/a 7n/an/an/an/a7.523



GSK



Assay Description
Assays were performed in 96-well microtiter plates in reaction buffer containing biotinylated substrate, ATP/[gamma-33P]ATP, and purified kinase in t...


Proc Natl Acad Sci U S A 105: 2773-8 (2008)


Article DOI: 10.1073/pnas.0708281105
BindingDB Entry DOI: 10.7270/Q27S7M35
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50366929
PNG
(CHEMBL1794057)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:10.11|
Show InChI InChI=1S/C16H12N4O2/c21-15-11(10-3-1-2-4-12(10)18-15)8-17-9-5-6-13-14(7-9)20-16(22)19-13/h1-8,11H,(H,18,21)(H2,19,20,22)
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM27973
PNG
(6-Ethynylthieno[3,2-d]pyrimidine, 8 | N-{3-chloro-...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|
Show InChI InChI=1S/C25H20ClFN4OS/c26-21-12-19(7-9-23(21)32-14-16-3-1-4-17(27)11-16)31-25-24-22(29-15-30-25)13-20(33-24)8-6-18-5-2-10-28-18/h1,3-4,7,9,11-13,15,18,28H,2,5,10,14H2,(H,29,30,31)/t18-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR kinase


Bioorg Med Chem Lett 18: 5738-40 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.090
BindingDB Entry DOI: 10.7270/Q2H70FTT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50256018
PNG
(CHEMBL473427 | N-(3-chloro-4-(3-fluorobenzyloxy)ph...)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)-c3cccs3)cc2Cl)c1
Show InChI InChI=1S/C23H15ClFN3OS2/c24-17-10-16(6-7-19(17)29-12-14-3-1-4-15(25)9-14)28-23-22-18(26-13-27-23)11-21(31-22)20-5-2-8-30-20/h1-11,13H,12H2,(H,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 19: 817-20 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.011
BindingDB Entry DOI: 10.7270/Q2TH8NNN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306093
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ncccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-23-10-17(4-5-25(23)33-32-16)24-11-21(13-30-26(24)18-6-8-34-14-18)35-15-20(28)9-19-12-31-27-22(19)3-2-7-29-27/h2-8,10-14,20H,9,15,28H2,1H3,(H,29,31)(H,32,33)/t20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50142025
PNG
(5-Bromo-3-(5-bromo-6-hydroxy-2'-methoxy-biphenyl-3...)
Show SMILES COc1ccccc1-c1cc(\C=C2/C(=O)Nc3ncc(Br)cc23)cc(Br)c1O
Show InChI InChI=1S/C21H14Br2N2O3/c1-28-18-5-3-2-4-13(18)14-6-11(8-17(23)19(14)26)7-16-15-9-12(22)10-24-20(15)25-21(16)27/h2-10,26H,1H3,(H,24,25,27)/b16-7-
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50366931
PNG
(CHEMBL1794056)
Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc(cc1)-n1cncn1 |w:10.11|
Show InChI InChI=1S/C17H13N5O/c23-17-15(14-3-1-2-4-16(14)21-17)9-19-12-5-7-13(8-6-12)22-11-18-10-20-22/h1-11,15H,(H,21,23)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of receptor Tyrosine kinase A, TrkA (nerve growth factor receptor)


Bioorg Med Chem Lett 14: 953-7 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.002
BindingDB Entry DOI: 10.7270/Q23R0TDF
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM24989
PNG
(4-[1-ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]...)
Show SMILES CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N
Show InChI InChI=1S/C15H19N7O2/c1-2-22-13-10(19-15(22)12-14(16)21-24-20-12)7-18-8-11(13)23-9-3-5-17-6-4-9/h7-9,17H,2-6H2,1H3,(H2,16,21)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25012
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)
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n/an/a 8n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25012
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
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