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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'nidarmarthy' and Initial = 's'   
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))
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
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))
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
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
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
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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n/an/a 3n/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))
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306092
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]c3cccnc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-17(4-5-24(22)33-32-16)23-11-21(13-31-26(23)18-6-8-34-14-18)35-15-20(28)9-19-12-30-25-3-2-7-29-27(19)25/h2-8,10-14,20,30H,9,15,28H2,1H3,(H,32,33)/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306105
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(F)ccc1O |r|
Show InChI InChI=1S/C28H25FN4O2/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 truncated 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))
BDBM50306103
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)Cc2ccccc2)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H24N4O2/c1-17-23-12-19(7-8-25(23)30-29-17)24-13-22(14-28-26(24)20-9-10-31-15-20)32-16-21(27)11-18-5-3-2-4-6-18/h2-10,12-15,21H,11,16,27H2,1H3,(H,29,30)/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306091
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]c3ccncc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-22-9-17(2-3-26(22)33-32-16)23-10-21(12-31-27(23)18-5-7-34-14-18)35-15-20(28)8-19-11-30-25-4-6-29-13-24(19)25/h2-7,9-14,20,30H,8,15,28H2,1H3,(H,32,33)/t20-/m0/s1
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n/an/a 13n/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))
BDBM50306089
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-c1ccccc1O |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-24-14-20(11-12-26(24)32-31-18)25-15-22(16-30-28(25)23-9-5-6-10-27(23)33)34-17-21(29)13-19-7-3-2-4-8-19/h2-12,14-16,21,33H,13,17,29H2,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 15n/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))
BDBM50306100
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(1H-pyrrol-2...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc[nH]1 |r|
Show InChI InChI=1S/C26H25N5O/c1-17-22-13-19(9-10-24(22)31-30-17)23-14-21(15-29-26(23)25-8-5-11-28-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20,28H,12,16,27H2,1H3,(H,30,31)/t20-/m0/s1
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n/an/a 15n/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))
BDBM50306101
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(thiophen-3-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccsc1 |r|
Show InChI InChI=1S/C26H24N4OS/c1-17-23-12-19(7-8-25(23)30-29-17)24-13-22(14-28-26(24)20-9-10-32-16-20)31-15-21(27)11-18-5-3-2-4-6-18/h2-10,12-14,16,21H,11,15,27H2,1H3,(H,29,30)/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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306090
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-phenylpyridi...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1
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n/an/a 50n/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))
BDBM50306085
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(F)cc(F)c1O |r|
Show InChI InChI=1S/C28H24F2N4O2/c1-16-22-10-18(7-8-26(22)34-33-16)23-13-21(36-15-20(31)9-17-5-3-2-4-6-17)14-32-27(23)24-11-19(29)12-25(30)28(24)35/h2-8,10-14,20,35H,9,15,31H2,1H3,(H,33,34)/t20-/m0/s1
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n/an/a 63n/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))
BDBM50306088
PNG
((S)-3-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-20(10-11-27(25)32-31-18)26-15-24(16-30-28(26)21-8-5-9-23(33)13-21)34-17-22(29)12-19-6-3-2-4-7-19/h2-11,13-16,22,33H,12,17,29H2,1H3,(H,31,32)/t22-/m0/s1
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n/an/a 79n/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))
BDBM50306102
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(thiophen-2-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccs1 |r|
Show InChI InChI=1S/C26H24N4OS/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-32-25)31-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1
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n/an/a 79n/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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
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 84n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
BDBM50306086
PNG
((2S)-1-(6-(2-methoxyphenyl)-5-(3-methyl-1H-indazol...)
Show SMILES COc1ccccc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1 |r|
Show InChI InChI=1S/C29H28N4O2/c1-19-25-15-21(12-13-27(25)33-32-19)26-16-23(35-18-22(30)14-20-8-4-3-5-9-20)17-31-29(26)24-10-6-7-11-28(24)34-2/h3-13,15-17,22H,14,18,30H2,1-2H3,(H,32,33)/t22-/m0/s1
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n/an/a 100n/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))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 125n/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 220n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
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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n/an/a 260n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
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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n/an/a 360n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
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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n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
BDBM50306087
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-21(9-12-27(25)32-31-18)26-15-24(16-30-28(26)20-7-10-23(33)11-8-20)34-17-22(29)13-19-5-3-2-4-6-19/h2-12,14-16,22,33H,13,17,29H2,1H3,(H,31,32)/t22-/m0/s1
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n/an/a 500n/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))
BDBM50306098
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CCCO |r|
Show InChI InChI=1S/C26H26N4O2/c1-18-23-14-20(10-11-26(23)30-29-18)24-15-22(16-28-25(24)9-5-6-12-31)32-17-21(27)13-19-7-3-2-4-8-19/h2-4,7-8,10-11,14-16,21,31H,6,12-13,17,27H2,1H3,(H,29,30)/t21-/m0/s1
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n/an/a 720n/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))
BDBM50306104
PNG
((S)-1-(6-(furan-2-yl)-5-(3-methyl-1H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccco1 |r|
Show InChI InChI=1S/C26H24N4O2/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-31-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of truncated 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))
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 930n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
BDBM50306104
PNG
((S)-1-(6-(furan-2-yl)-5-(3-methyl-1H-indazol-5-yl)...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccco1 |r|
Show InChI InChI=1S/C26H24N4O2/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-31-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306087
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-21(9-12-27(25)32-31-18)26-15-24(16-30-28(26)20-7-10-23(33)11-8-20)34-17-22(29)13-19-5-3-2-4-6-19/h2-12,14-16,22,33H,13,17,29H2,1H3,(H,31,32)/t22-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
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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n/an/a 1.58E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306102
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(thiophen-2-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccs1 |r|
Show InChI InChI=1S/C26H24N4OS/c1-17-22-13-19(9-10-24(22)30-29-17)23-14-21(15-28-26(23)25-8-5-11-32-25)31-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20H,12,16,27H2,1H3,(H,29,30)/t20-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306092
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]c3cccnc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-22-10-17(4-5-24(22)33-32-16)23-11-21(13-31-26(23)18-6-8-34-14-18)35-15-20(28)9-19-12-30-25-3-2-7-29-27(19)25/h2-8,10-14,20,30H,9,15,28H2,1H3,(H,32,33)/t20-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
BDBM50306103
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)Cc2ccccc2)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C26H24N4O2/c1-17-23-12-19(7-8-25(23)30-29-17)24-13-22(14-28-26(24)20-9-10-31-15-20)32-16-21(27)11-18-5-3-2-4-6-18/h2-10,12-15,21H,11,16,27H2,1H3,(H,29,30)/t21-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306101
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(thiophen-3-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccsc1 |r|
Show InChI InChI=1S/C26H24N4OS/c1-17-23-12-19(7-8-25(23)30-29-17)24-13-22(14-28-26(24)20-9-10-32-16-20)31-15-21(27)11-18-5-3-2-4-6-18/h2-10,12-14,16,21H,11,15,27H2,1H3,(H,29,30)/t21-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306091
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]c3ccncc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-22-9-17(2-3-26(22)33-32-16)23-10-21(12-31-27(23)18-5-7-34-14-18)35-15-20(28)8-19-11-30-25-4-6-29-13-24(19)25/h2-7,9-14,20,30H,8,15,28H2,1H3,(H,32,33)/t20-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1 in human BT474 cells assessed as phosphorylation of GSK3


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))
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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n/an/a 7.60E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306089
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-c1ccccc1O |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-24-14-20(11-12-26(24)32-31-18)25-15-22(16-30-28(25)23-9-5-6-10-27(23)33)34-17-21(29)13-19-7-3-2-4-8-19/h2-12,14-16,21,33H,13,17,29H2,1H3,(H,31,32)/t21-/m0/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306105
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(F)ccc1O |r|
Show InChI InChI=1S/C28H25FN4O2/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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n/an/a 9.80E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306090
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-phenylpyridi...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccccc1 |r|
Show InChI InChI=1S/C28H26N4O/c1-19-25-15-22(12-13-27(25)32-31-19)26-16-24(17-30-28(26)21-10-6-3-7-11-21)33-18-23(29)14-20-8-4-2-5-9-20/h2-13,15-17,23H,14,18,29H2,1H3,(H,31,32)/t23-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306088
PNG
((S)-3-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-20(10-11-27(25)32-31-18)26-15-24(16-30-28(26)21-8-5-9-23(33)13-21)34-17-22(29)12-19-6-3-2-4-7-19/h2-11,13-16,22,33H,12,17,29H2,1H3,(H,31,32)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306086
PNG
((2S)-1-(6-(2-methoxyphenyl)-5-(3-methyl-1H-indazol...)
Show SMILES COc1ccccc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1 |r|
Show InChI InChI=1S/C29H28N4O2/c1-19-25-15-21(12-13-27(25)33-32-19)26-16-23(35-18-22(30)14-20-8-4-3-5-9-20)17-31-29(26)24-10-6-7-11-28(24)34-2/h3-13,15-17,22H,14,18,30H2,1-2H3,(H,32,33)/t22-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306085
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(F)cc(F)c1O |r|
Show InChI InChI=1S/C28H24F2N4O2/c1-16-22-10-18(7-8-26(22)34-33-16)23-13-21(36-15-20(31)9-17-5-3-2-4-6-17)14-32-27(23)24-11-19(29)12-25(30)28(24)35/h2-8,10-14,20,35H,9,15,31H2,1H3,(H,33,34)/t20-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306099
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CC(C)(C)O |r|
Show InChI InChI=1S/C27H28N4O2/c1-18-23-14-20(9-10-26(23)31-30-18)24-15-22(16-29-25(24)11-12-27(2,3)32)33-17-21(28)13-19-7-5-4-6-8-19/h4-10,14-16,21,32H,13,17,28H2,1-3H3,(H,30,31)/t21-/m0/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306100
PNG
((S)-1-(5-(3-methyl-1H-indazol-5-yl)-6-(1H-pyrrol-2...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1ccc[nH]1 |r|
Show InChI InChI=1S/C26H25N5O/c1-17-22-13-19(9-10-24(22)31-30-17)23-14-21(15-29-26(23)25-8-5-11-28-25)32-16-20(27)12-18-6-3-2-4-7-18/h2-11,13-15,20,28H,12,16,27H2,1H3,(H,30,31)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306098
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CCCO |r|
Show InChI InChI=1S/C26H26N4O2/c1-18-23-14-20(10-11-26(23)30-29-18)24-15-22(16-28-25(24)9-5-6-12-31)32-17-21(27)13-19-7-3-2-4-8-19/h2-4,7-8,10-11,14-16,21,31H,6,12-13,17,27H2,1H3,(H,29,30)/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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))
BDBM50306099
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CC(C)(C)O |r|
Show InChI InChI=1S/C27H28N4O2/c1-18-23-14-20(9-10-26(23)31-30-18)24-15-22(16-29-25(24)11-12-27(2,3)32)33-17-21(28)13-19-7-5-4-6-8-19/h4-10,14-16,21,32H,13,17,28H2,1-3H3,(H,30,31)/t21-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of truncated 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