Found 40 hits of ic50 data for polymerid = 50006305 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421255
(CHEMBL2087873)Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421256
(CHEMBL2087874)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H28N4O2S2/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)32-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421257
(CHEMBL2087875)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32) | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421284
(CHEMBL2087660)Show SMILES O=C1CCCN1CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H31N5O3/c35-24-9-4-14-34(24)15-17-37-22-12-10-21(11-13-22)27-25(20-6-2-1-3-7-20)26-28(31-19-32-29(26)33-27)30-18-23-8-5-16-36-23/h1-3,6-7,10-13,19,23H,4-5,8-9,14-18H2,(H2,30,31,32,33)/t23-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421279
(CHEMBL2087655)Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-16-34-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)31-25)28-17-22-9-6-15-33-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H2,28,29,30,31)/t22-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421289
(CHEMBL2087666)Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C28H29N5O3/c34-28(33-12-15-35-16-13-33)21-10-8-20(9-11-21)25-23(19-5-2-1-3-6-19)24-26(30-18-31-27(24)32-25)29-17-22-7-4-14-36-22/h1-3,5-6,8-11,18,22H,4,7,12-17H2,(H2,29,30,31,32)/t22-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421286
(CHEMBL2087662)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C26H27N5O2/c1-31(2)26(32)19-12-10-18(11-13-19)23-21(17-7-4-3-5-8-17)22-24(28-16-29-25(22)30-23)27-15-20-9-6-14-33-20/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H2,27,28,29,30)/t20-/m0/s1 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50204587
((S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-phenyl...)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-31(2)14-16-33-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)34-25)28-17-22-9-6-15-32-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30)/t22-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421254
(CHEMBL2087872)Show SMILES Fc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(1.31,-33.66,;.28,-32.51,;.76,-31.05,;-.28,-29.91,;-1.79,-30.23,;-2.26,-31.7,;-1.23,-32.83,;-1.7,-34.3,;-.79,-35.55,;-1.7,-36.81,;-3.18,-36.33,;-4.51,-37.1,;-5.85,-36.33,;-5.84,-34.78,;-4.51,-34.01,;-4.52,-32.47,;-5.86,-31.71,;-7.19,-32.48,;-8.59,-31.86,;-9.61,-33.01,;-8.84,-34.34,;-7.34,-34.01,;-3.18,-34.78,;.74,-35.55,;1.51,-36.88,;3.05,-36.88,;3.82,-35.55,;5.36,-35.55,;6.13,-36.88,;7.67,-36.88,;8.44,-35.54,;9.97,-35.37,;10.29,-33.87,;8.95,-33.1,;7.81,-34.13,;3.04,-34.21,;1.51,-34.22,)| Show InChI InChI=1S/C29H32FN5O2/c30-24-8-2-1-7-23(24)25-26-28(31-18-22-6-5-16-36-22)32-19-33-29(26)34-27(25)20-9-11-21(12-10-20)37-17-15-35-13-3-4-14-35/h1-2,7-12,19,22H,3-6,13-18H2,(H2,31,32,33,34)/t22-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421278
(CHEMBL2087654)Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C24H25N5O3S/c1-25-33(30,31)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(27-15-28-24(21)29-22)26-14-18-8-5-13-32-18/h2-4,6-7,9-12,15,18,25H,5,8,13-14H2,1H3,(H2,26,27,28,29)/t18-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421287
(CHEMBL2087664)Show SMILES CNC(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C25H25N5O2/c1-26-25(31)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-24(21)30-22)27-14-19-8-5-13-32-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,31)(H2,27,28,29,30)/t19-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421282
(CHEMBL2087658)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H33N5O2/c1-2-7-21(8-3-1)25-26-28(30-19-24-9-6-17-35-24)31-20-32-29(26)33-27(25)22-10-12-23(13-11-22)36-18-16-34-14-4-5-15-34/h1-3,7-8,10-13,20,24H,4-6,9,14-19H2,(H2,30,31,32,33)/t24-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421281
(CHEMBL2087657)Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H33N5O3/c1-2-5-21(6-3-1)25-26-28(30-19-24-7-4-15-36-24)31-20-32-29(26)33-27(25)22-8-10-23(11-9-22)37-18-14-34-12-16-35-17-13-34/h1-3,5-6,8-11,20,24H,4,7,12-19H2,(H2,30,31,32,33)/t24-/m0/s1 | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421276
(CHEMBL2087652)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C25H27N5O3S/c1-30(2)34(31,32)20-12-10-18(11-13-20)23-21(17-7-4-3-5-8-17)22-24(27-16-28-25(22)29-23)26-15-19-9-6-14-33-19/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m0/s1 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421275
(CHEMBL2087651)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O3S/c1-32(29,30)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-18-8-5-13-31-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t18-/m0/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421270
(CHEMBL2087671)Show SMILES COc1cccc(c1)-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r| Show InChI InChI=1S/C30H35N5O3/c1-36-24-7-4-6-22(18-24)26-27-29(31-19-25-8-5-16-37-25)32-20-33-30(27)34-28(26)21-9-11-23(12-10-21)38-17-15-35-13-2-3-14-35/h4,6-7,9-12,18,20,25H,2-3,5,8,13-17,19H2,1H3,(H2,31,32,33,34)/t25-/m0/s1 | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421253
(CHEMBL2087871)Show SMILES Cc1ccccc1-c1c([nH]c2ncnc(NC[C@@H]3CCCO3)c12)-c1ccc(OCCN2CCCC2)cc1 |r,wU:17.17,(24.43,-22.73,;23.72,-21.96,;24.2,-20.5,;23.17,-19.35,;21.65,-19.68,;21.18,-21.14,;22.21,-22.28,;21.74,-23.74,;22.65,-25,;21.74,-26.25,;20.26,-25.77,;18.93,-26.54,;17.6,-25.77,;17.6,-24.23,;18.93,-23.46,;18.92,-21.92,;17.59,-21.15,;16.26,-21.93,;14.85,-21.31,;13.83,-22.45,;14.6,-23.79,;16.11,-23.46,;20.26,-24.22,;24.18,-24.99,;24.95,-26.33,;26.49,-26.33,;27.26,-24.99,;28.8,-24.99,;29.58,-26.32,;31.12,-26.32,;31.88,-24.99,;33.41,-24.82,;33.73,-23.31,;32.39,-22.54,;31.25,-23.58,;26.48,-23.66,;24.95,-23.66,)| Show InChI InChI=1S/C30H35N5O2/c1-21-7-2-3-9-25(21)26-27-29(31-19-24-8-6-17-36-24)32-20-33-30(27)34-28(26)22-10-12-23(13-11-22)37-18-16-35-14-4-5-15-35/h2-3,7,9-13,20,24H,4-6,8,14-19H2,1H3,(H2,31,32,33,34)/t24-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421280
(CHEMBL2087656)Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H32N4O4/c1-2-5-21(6-3-1)25-26-28(30-19-24-7-4-15-35-24)31-20-32-29(26)37-27(25)22-8-10-23(11-9-22)36-18-14-33-12-16-34-17-13-33/h1-3,5-6,8-11,20,24H,4,7,12-19H2,(H,30,31,32)/t24-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421285
(CHEMBL2087661)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C26H26N4O3/c1-30(2)26(31)19-12-10-18(11-13-19)23-21(17-7-4-3-5-8-17)22-24(28-16-29-25(22)33-23)27-15-20-9-6-14-32-20/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,27,28,29)/t20-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421288
(CHEMBL2087665)Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C28H28N4O4/c33-28(32-12-15-34-16-13-32)21-10-8-20(9-11-21)25-23(19-5-2-1-3-6-19)24-26(30-18-31-27(24)36-25)29-17-22-7-4-14-35-22/h1-3,5-6,8-11,18,22H,4,7,12-17H2,(H,29,30,31)/t22-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421283
(CHEMBL2087659)Show SMILES O=C1CCCN1CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O4/c34-24-9-4-14-33(24)15-17-36-22-12-10-21(11-13-22)27-25(20-6-2-1-3-7-20)26-28(31-19-32-29(26)37-27)30-18-23-8-5-16-35-23/h1-3,6-7,10-13,19,23H,4-5,8-9,14-18H2,(H,30,31,32)/t23-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421291
(CHEMBL2087668)Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1C1=CCCC1 |r,t:32| Show InChI InChI=1S/C26H33N5O2/c1-31(2)13-15-33-20-11-9-19(10-12-20)24-22(18-6-3-4-7-18)23-25(28-17-29-26(23)30-24)27-16-21-8-5-14-32-21/h6,9-12,17,21H,3-5,7-8,13-16H2,1-2H3,(H2,27,28,29,30)/t21-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421274
(CHEMBL2087650)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C24H23N3O4S/c1-32(28,29)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)31-22)25-14-18-8-5-13-30-18/h2-4,6-7,9-12,15,18H,5,8,13-14H2,1H3,(H,25,26,27)/t18-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421277
(CHEMBL2087653)Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O4S/c1-25-33(29,30)19-11-9-17(10-12-19)22-20(16-6-3-2-4-7-16)21-23(27-15-28-24(21)32-22)26-14-18-8-5-13-31-18/h2-4,6-7,9-12,15,18,25H,5,8,13-14H2,1H3,(H,26,27,28)/t18-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421273
(CHEMBL2087649)Show SMILES COc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O2/c1-29-18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)28-22)25-14-19-8-5-13-30-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H2,25,26,27,28)/t19-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421269
(CHEMBL2087670)Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1-c1cccnc1 |r| Show InChI InChI=1S/C28H32N6O2/c1-2-13-34(12-1)14-16-36-22-9-7-20(8-10-22)26-24(21-5-3-11-29-17-21)25-27(31-19-32-28(25)33-26)30-18-23-6-4-15-35-23/h3,5,7-11,17,19,23H,1-2,4,6,12-16,18H2,(H2,30,31,32,33)/t23-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421262
(CHEMBL2087880)Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CC[C@H]3O)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C27H31N5O2/c1-32(2)14-15-34-21-11-8-19(9-12-21)25-23(18-6-4-3-5-7-18)24-26(29-17-30-27(24)31-25)28-16-20-10-13-22(20)33/h3-9,11-12,17,20,22,33H,10,13-16H2,1-2H3,(H2,28,29,30,31)/t20-,22+/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421293
(CHEMBL2087881)Show SMILES CO[C@@H]1CC[C@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1 |r| Show InChI InChI=1S/C28H33N5O2/c1-33(2)15-16-35-22-12-9-20(10-13-22)26-24(19-7-5-4-6-8-19)25-27(30-18-31-28(25)32-26)29-17-21-11-14-23(21)34-3/h4-10,12-13,18,21,23H,11,14-17H2,1-3H3,(H2,29,30,31,32)/t21-,23+/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421263
(CHEMBL2087882)Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@H]3CCC[C@H]3O)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C28H33N5O2/c1-33(2)15-16-35-22-13-11-20(12-14-22)26-24(19-7-4-3-5-8-19)25-27(30-18-31-28(25)32-26)29-17-21-9-6-10-23(21)34/h3-5,7-8,11-14,18,21,23,34H,6,9-10,15-17H2,1-2H3,(H2,29,30,31,32)/t21-,23-/m1/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421290
(CHEMBL2087667)Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NC[C@@H]3CCCO3)c2c1C1=CCCCC1 |r,t:32| Show InChI InChI=1S/C27H35N5O2/c1-32(2)14-16-34-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)31-25)28-17-22-9-6-15-33-22/h7,10-13,18,22H,3-6,8-9,14-17H2,1-2H3,(H2,28,29,30,31)/t22-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421261
(CHEMBL2087879)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3SCCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O2S2/c1-31(2)13-14-32-21-11-9-20(10-12-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)33-25)28-17-22-34-15-6-16-35-22/h3-5,7-12,18,22H,6,13-17H2,1-2H3,(H,28,29,30) | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421272
(CHEMBL2087648)Show SMILES COc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C24H23N3O3/c1-28-18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(26-15-27-24(21)30-22)25-14-19-8-5-13-29-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,25,26,27)/t19-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421271
(CHEMBL2087647)Show SMILES C(Nc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1 | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421264
(CHEMBL2087883)Show SMILES CO[C@@H]1CCC[C@@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1 |r| Show InChI InChI=1S/C29H35N5O2/c1-34(2)16-17-36-23-14-12-21(13-15-23)27-25(20-8-5-4-6-9-20)26-28(31-19-32-29(26)33-27)30-18-22-10-7-11-24(22)35-3/h4-6,8-9,12-15,19,22,24H,7,10-11,16-18H2,1-3H3,(H2,30,31,32,33)/t22-,24-/m1/s1 | PDB
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| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421265
(CHEMBL2087884)Show SMILES CO[C@@H]1CCC[C@H]1CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccc(OCCN(C)C)cc1 |r| Show InChI InChI=1S/C29H35N5O2/c1-34(2)16-17-36-23-14-12-21(13-15-23)27-25(20-8-5-4-6-9-20)26-28(31-19-32-29(26)33-27)30-18-22-10-7-11-24(22)35-3/h4-6,8-9,12-15,19,22,24H,7,10-11,16-18H2,1-3H3,(H2,30,31,32,33)/t22-,24+/m0/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421259
(CHEMBL2087877)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3OCCO3)c2c1-c1ccccc1 Show InChI InChI=1S/C26H28N4O4/c1-30(2)12-13-31-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)34-24)27-16-21-32-14-15-33-21/h3-11,17,21H,12-16H2,1-2H3,(H,27,28,29) | PDB
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PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421294
(CHEMBL2087663)Show SMILES CNC(=O)c1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCO3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C25H24N4O3/c1-26-24(30)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-25(21)32-22)27-14-19-8-5-13-31-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,30)(H,27,28,29)/t19-/m0/s1 | PDB
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| n/a | n/a | 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421258
(CHEMBL2087876)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NCC3CCCS3)c2c1-c1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-31(2)14-15-32-21-12-10-20(11-13-21)25-23(19-7-4-3-5-8-19)24-26(29-18-30-27(24)33-25)28-17-22-9-6-16-34-22/h3-5,7-8,10-13,18,22H,6,9,14-17H2,1-2H3,(H,28,29,30) | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM17715
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 6 | N-[(2S)...)Show SMILES C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C24H22N2O2/c1-3-8-17(9-4-1)21-22-20(26-16-19-12-7-15-27-19)13-14-25-24(22)28-23(21)18-10-5-2-6-11-18/h1-6,8-11,13-14,19H,7,12,15-16H2,(H,25,26)/t19-/m0/s1 | PDB
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| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
Activated CDC42 kinase 1
(Mus musculus) | BDBM50421260
(CHEMBL2087878)Show SMILES CN(C)CCOc1ccc(cc1)-c1oc2ncnc(NC[C@@H]3CCCCS3)c2c1-c1ccccc1 |r| Show InChI InChI=1S/C28H32N4O2S/c1-32(2)15-16-33-22-13-11-21(12-14-22)26-24(20-8-4-3-5-9-20)25-27(30-19-31-28(25)34-26)29-18-23-10-6-7-17-35-23/h3-5,8-9,11-14,19,23H,6-7,10,15-18H2,1-2H3,(H,29,30,31)/t23-/m0/s1 | PDB
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KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 7.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrs |
Bioorg Med Chem Lett 22: 6212-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X |
More data for this
Ligand-Target Pair | |
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