Found 6 hits of ic50 data for polymerid = 50006421 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 |
|---|
Microtubule-associated serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50439426
(CHEMBL2420572)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccccc1 |r,wU:4.7,wD:1.0,(12.09,-19.11,;13.43,-19.86,;13.45,-21.4,;14.81,-22.15,;16.13,-21.36,;16.11,-19.82,;14.76,-19.08,;17.47,-22.12,;18.79,-21.32,;20.13,-22.08,;21.46,-21.29,;22.8,-22.04,;24.12,-21.25,;24.1,-19.71,;22.76,-18.96,;21.43,-19.75,;20.09,-19,;19.75,-17.5,;18.22,-17.36,;17.61,-18.77,;18.77,-19.79,;25.43,-18.93,;25.41,-17.39,;26.77,-19.67,;28.09,-18.89,;28.72,-17.48,;27.19,-17.64,;29.45,-19.61,;29.5,-21.15,;30.85,-21.89,;32.16,-21.07,;32.11,-19.53,;30.76,-18.81,)| Show InChI InChI=1S/C26H27N5O2/c32-20-9-7-19(8-10-20)28-23-24-27-14-15-31(24)22-16-17(6-11-21(22)29-23)25(33)30-26(12-13-26)18-4-2-1-3-5-18/h1-6,11,14-16,19-20,32H,7-10,12-13H2,(H,28,29)(H,30,33)/t19-,20- | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MAST3 in human HuH7 cell lysates |
Bioorg Med Chem Lett 23: 5217-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.087
BindingDB Entry DOI: 10.7270/Q24T6KSR |
More data for this
Ligand-Target Pair | |
Microtubule-associated serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50439428
(CHEMBL2420564)Show SMILES OC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:13.12,2.2,wD:16.16,(22.2,-27.64,;20.87,-26.87,;20.87,-25.33,;19.54,-24.56,;18.2,-25.33,;18.2,-26.87,;16.87,-24.56,;15.54,-25.33,;14.2,-24.56,;14.2,-23.02,;12.87,-22.25,;12.87,-20.71,;11.54,-19.94,;10.2,-20.71,;10.2,-22.25,;8.87,-23.02,;7.53,-22.25,;6.2,-23.02,;7.53,-20.71,;8.87,-19.94,;14.2,-19.94,;14.52,-18.43,;16.05,-18.27,;16.68,-19.68,;15.54,-20.71,;15.54,-22.25,;16.87,-23.02,;22.2,-24.56,;22.2,-23.02,;23.54,-22.25,;24.87,-23.02,;24.87,-24.56,;23.54,-25.33,)| Show InChI InChI=1S/C25H27N5O3/c31-15-21(16-4-2-1-3-5-16)29-25(33)17-6-11-20-22(14-17)30-13-12-26-24(30)23(28-20)27-18-7-9-19(32)10-8-18/h1-6,11-14,18-19,21,31-32H,7-10,15H2,(H,27,28)(H,29,33)/t18-,19-,21-/m1/s1 | PDB
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ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MAST3 in human HuH7 cell lysates |
Bioorg Med Chem Lett 23: 5217-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.087
BindingDB Entry DOI: 10.7270/Q24T6KSR |
More data for this
Ligand-Target Pair | |
Microtubule-associated serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50439425
(CHEMBL2420555)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc2ccc(cc2n2ccnc12)C(=O)NC1(CC1)c1ccc(F)cc1 |r,wU:4.7,wD:1.0,(5.97,-27.29,;7.31,-28.06,;7.31,-29.6,;8.64,-30.37,;9.97,-29.6,;9.97,-28.06,;8.64,-27.29,;11.31,-30.37,;12.64,-29.6,;13.97,-30.37,;15.31,-29.6,;16.64,-30.37,;17.98,-29.6,;17.98,-28.06,;16.64,-27.29,;15.31,-28.06,;13.97,-27.29,;13.65,-25.78,;12.12,-25.62,;11.5,-27.03,;12.64,-28.06,;19.31,-27.29,;19.31,-25.75,;20.64,-28.06,;21.98,-27.29,;22.97,-26.11,;21.45,-25.84,;23.24,-28.17,;23.1,-29.7,;24.37,-30.59,;25.76,-29.94,;27.02,-30.82,;25.89,-28.4,;24.63,-27.52,)| Show InChI InChI=1S/C26H26FN5O2/c27-18-4-2-17(3-5-18)26(11-12-26)31-25(34)16-1-10-21-22(15-16)32-14-13-28-24(32)23(30-21)29-19-6-8-20(33)9-7-19/h1-5,10,13-15,19-20,33H,6-9,11-12H2,(H,29,30)(H,31,34)/t19-,20- | PDB
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| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MAST3 in human HuH7 cell lysates |
Bioorg Med Chem Lett 23: 5217-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.087
BindingDB Entry DOI: 10.7270/Q24T6KSR |
More data for this
Ligand-Target Pair | |
Microtubule-associated serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50439430
(CHEMBL2420556)Show SMILES C[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:15.15,wD:12.11,1.0,(21.6,-19.5,;21.6,-21.04,;20.26,-21.81,;18.93,-21.04,;18.93,-19.5,;17.59,-21.81,;17.59,-23.35,;16.26,-24.12,;14.93,-23.35,;13.59,-24.12,;12.26,-23.35,;10.93,-24.12,;9.59,-23.35,;9.59,-21.81,;8.26,-21.04,;6.93,-21.81,;5.59,-21.04,;6.93,-23.35,;8.26,-24.12,;12.26,-21.81,;11.12,-20.78,;11.74,-19.38,;13.27,-19.54,;13.59,-21.04,;14.93,-21.81,;16.26,-21.04,;22.93,-21.81,;22.93,-23.35,;24.26,-24.12,;25.6,-23.35,;25.6,-21.81,;24.26,-21.04,)| Show InChI InChI=1S/C25H27N5O2/c1-16(17-5-3-2-4-6-17)27-25(32)18-7-12-21-22(15-18)30-14-13-26-24(30)23(29-21)28-19-8-10-20(31)11-9-19/h2-7,12-16,19-20,31H,8-11H2,1H3,(H,27,32)(H,28,29)/t16-,19-,20-/m1/s1 | PDB
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PC cid
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| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MAST3 in human HuH7 cell lysates |
Bioorg Med Chem Lett 23: 5217-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.087
BindingDB Entry DOI: 10.7270/Q24T6KSR |
More data for this
Ligand-Target Pair | |
Microtubule-associated serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50439429
(CHEMBL2420562)Show SMILES CC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:2.2,13.12,wD:16.16,(23.25,-31.89,;21.92,-31.12,;21.92,-29.58,;20.58,-28.81,;19.25,-29.58,;19.25,-31.12,;17.92,-28.81,;16.58,-29.58,;15.25,-28.81,;15.25,-27.27,;13.92,-26.5,;13.92,-24.96,;12.58,-24.19,;11.25,-24.96,;11.25,-26.5,;9.92,-27.27,;8.58,-26.5,;7.25,-27.27,;8.58,-24.96,;9.92,-24.19,;15.25,-24.19,;15.57,-22.69,;17.1,-22.52,;17.73,-23.93,;16.58,-24.96,;16.58,-26.5,;17.92,-27.27,;23.25,-28.81,;23.25,-27.27,;24.59,-26.5,;25.92,-27.27,;25.92,-28.81,;24.59,-29.58,)| Show InChI InChI=1S/C26H29N5O2/c1-2-21(17-6-4-3-5-7-17)30-26(33)18-8-13-22-23(16-18)31-15-14-27-25(31)24(29-22)28-19-9-11-20(32)12-10-19/h3-8,13-16,19-21,32H,2,9-12H2,1H3,(H,28,29)(H,30,33)/t19-,20-,21-/m1/s1 | PDB
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PC cid
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MAST3 in human HuH7 cell lysates |
Bioorg Med Chem Lett 23: 5217-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.087
BindingDB Entry DOI: 10.7270/Q24T6KSR |
More data for this
Ligand-Target Pair | |
Microtubule-associated serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50439427
(CHEMBL2420565)Show SMILES CCC[C@@H](NC(=O)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1)c1ccccc1 |r,wU:3.3,14.13,wD:17.17,(25.34,-27.51,;24.01,-28.28,;22.67,-27.51,;22.67,-25.97,;21.34,-25.2,;20.01,-25.97,;20.01,-27.51,;18.67,-25.2,;17.34,-25.97,;16.01,-25.2,;16.01,-23.66,;14.67,-22.89,;14.67,-21.35,;13.34,-20.58,;12.01,-21.35,;12.01,-22.89,;10.67,-23.66,;9.34,-22.89,;8,-23.66,;9.34,-21.35,;10.67,-20.58,;16.01,-20.58,;16.33,-19.08,;17.86,-18.91,;18.48,-20.32,;17.34,-21.35,;17.34,-22.89,;18.67,-23.66,;24.01,-25.2,;24.01,-23.66,;25.34,-22.89,;26.68,-23.66,;26.68,-25.2,;25.34,-25.97,)| Show InChI InChI=1S/C27H31N5O2/c1-2-6-22(18-7-4-3-5-8-18)31-27(34)19-9-14-23-24(17-19)32-16-15-28-26(32)25(30-23)29-20-10-12-21(33)13-11-20/h3-5,7-9,14-17,20-22,33H,2,6,10-13H2,1H3,(H,29,30)(H,31,34)/t20-,21-,22-/m1/s1 | PDB
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| CHEMBL
PC cid
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| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ActivX Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MAST3 in human HuH7 cell lysates |
Bioorg Med Chem Lett 23: 5217-22 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.087
BindingDB Entry DOI: 10.7270/Q24T6KSR |
More data for this
Ligand-Target Pair | |
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