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Compile Data Set for Download or QSAR

Found 18 hits of ic50 data for polymerid = 50004903   
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
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50420401
PNG
(CHEMBL2089255 | US11208696, Example 31)
Show SMILES CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
Show InChI InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
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n/an/a 6.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50420400
PNG
(CHEMBL2089254)
Show SMILES CCOc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
Show InChI InChI=1S/C15H15N5O2/c1-2-22-15-11(8-16)12(17)7-13(20-15)19-10-5-3-9(4-6-10)14(18)21/h3-7H,2H2,1H3,(H2,18,21)(H3,17,19,20)
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50420401
PNG
(CHEMBL2089255 | US11208696, Example 31)
Show SMILES CC(C)(C)Nc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
Show InChI InChI=1S/C17H20N6O/c1-17(2,3)23-16-12(9-18)13(19)8-14(22-16)21-11-6-4-10(5-7-11)15(20)24/h4-8H,1-3H3,(H2,20,24)(H4,19,21,22,23)
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n/an/a 131n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50420399
PNG
(CHEMBL2089253)
Show SMILES CCOc1nc(Nc2ccccc2)cc(N)c1C#N
Show InChI InChI=1S/C14H14N4O/c1-2-19-14-11(9-15)12(16)8-13(18-14)17-10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H3,16,17,18)
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n/an/a 228n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM15912
PNG
(2-pyridinecarboxamide deriv. 8b | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(9-17)13(18)8-14(20-16)15(21)19-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,18,20)(H,19,21)
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n/an/a 529n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM15913
PNG
(2-pyridinecarboxamide deriv. 8c | 4-Amino-5-cyano-...)
Show SMILES CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O4S/c1-3-25-17-13(9-18)14(19)8-15(21-17)16(22)20-10-11-4-6-12(7-5-11)26(2,23)24/h4-8H,3,10H2,1-2H3,(H2,19,21)(H,20,22)
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n/an/a 568n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50420400
PNG
(CHEMBL2089254)
Show SMILES CCOc1nc(Nc2ccc(cc2)C(N)=O)cc(N)c1C#N
Show InChI InChI=1S/C15H15N5O2/c1-2-22-15-11(8-16)12(17)7-13(20-15)19-10-5-3-9(4-6-10)14(18)21/h3-7H,2H2,1H3,(H2,18,21)(H3,17,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged Mps1 autophosphorylation in human RERF-LC-AI cells expressing Tet-suppressible promotor after 3 hrs by immunoblotting

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50420398
PNG
(CHEMBL2089252)
Show SMILES CCOc1nc(NCCc2ccccc2)cc(N)c1C#N
Show InChI InChI=1S/C16H18N4O/c1-2-21-16-13(11-17)14(18)10-15(20-16)19-9-8-12-6-4-3-5-7-12/h3-7,10H,2,8-9H2,1H3,(H3,18,19,20)
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n/an/a 3.97E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM15926
PNG
(Aminopyridine-Based Inhibitor 6e | N-(4-Amino-5-cy...)
Show SMILES CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N
Show InChI InChI=1S/C16H16N4O2/c1-2-22-16-12(10-17)13(18)9-14(20-16)19-15(21)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3,(H3,18,19,20,21)
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n/an/a 4.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Mps1-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay

ACS Med Chem Lett 3: 560-564 (2012)


Article DOI: 10.1021/ml3000879
BindingDB Entry DOI: 10.7270/Q2RV0PZW
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1

Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1

Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
BindingDB Entry DOI: 10.7270/Q2W959NX
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50048374
PNG
(CHEMBL3310151)
Show SMILES CN1CCN(CC1)c1cc(F)c2c3nc(N)nn3c(Cc3ccc4OCOc4c3)nc2c1
Show InChI InChI=1S/C22H22FN7O2/c1-28-4-6-29(7-5-28)14-10-15(23)20-16(11-14)25-19(30-21(20)26-22(24)27-30)9-13-2-3-17-18(8-13)32-12-31-17/h2-3,8,10-11H,4-7,9,12H2,1H3,(H2,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 22: 4135-50 (2014)


Article DOI: 10.1016/j.bmc.2014.05.056
BindingDB Entry DOI: 10.7270/Q2S46TMD
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50048365
PNG
(CHEMBL3309998)
Show SMILES Nc1nc2c3ccc(NCCO)cc3nc(Cc3ccc4OCOc4c3)n2n1
Show InChI InChI=1S/C19H18N6O3/c20-19-23-18-13-3-2-12(21-5-6-26)9-14(13)22-17(25(18)24-19)8-11-1-4-15-16(7-11)28-10-27-15/h1-4,7,9,21,26H,5-6,8,10H2,(H2,20,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 22: 4135-50 (2014)


Article DOI: 10.1016/j.bmc.2014.05.056
BindingDB Entry DOI: 10.7270/Q2S46TMD
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50048364
PNG
(CHEMBL3309997)
Show SMILES OCCCNc1ccc2c3ncnn3c(nc2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C19H17N5O3/c25-7-1-6-20-13-3-4-14-15(9-13)23-18(24-19(14)21-10-22-24)12-2-5-16-17(8-12)27-11-26-16/h2-5,8-10,20,25H,1,6-7,11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 22: 4135-50 (2014)


Article DOI: 10.1016/j.bmc.2014.05.056
BindingDB Entry DOI: 10.7270/Q2S46TMD
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50048362
PNG
(CHEMBL3309995)
Show SMILES Nc1nc2c3ccc(N)cc3nc(Cc3ccc4OCOc4c3)n2n1
Show InChI InChI=1S/C17H14N6O2/c18-10-2-3-11-12(7-10)20-15(23-16(11)21-17(19)22-23)6-9-1-4-13-14(5-9)25-8-24-13/h1-5,7H,6,8,18H2,(H2,19,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 22: 4135-50 (2014)


Article DOI: 10.1016/j.bmc.2014.05.056
BindingDB Entry DOI: 10.7270/Q2S46TMD
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50048357
PNG
(CHEMBL3309990)
Show SMILES Nc1nc2c3c(F)cccc3nc(Cc3ccc4OCOc4c3)n2n1
Show InChI InChI=1S/C17H12FN5O2/c18-10-2-1-3-11-15(10)16-21-17(19)22-23(16)14(20-11)7-9-4-5-12-13(6-9)25-8-24-12/h1-6H,7-8H2,(H2,19,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 22: 4135-50 (2014)


Article DOI: 10.1016/j.bmc.2014.05.056
BindingDB Entry DOI: 10.7270/Q2S46TMD
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50021626
PNG
(CHEMBL3298400)
Show SMILES CC(C)(C)CNC(=O)CC1CNC(=O)c2cc(cn12)-c1ccsc1
Show InChI InChI=1S/C18H23N3O2S/c1-18(2,3)11-20-16(22)7-14-8-19-17(23)15-6-13(9-21(14)15)12-4-5-24-10-12/h4-6,9-10,14H,7-8,11H2,1-3H3,(H,19,23)(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))		BDBM50021618
PNG
(CHEMBL3297762 | US9145418, 2)
Show SMILES CN1CCN(C[C@@H](NC(=O)C[C@H]2CNC(=O)c3cc(cn23)-c2cccc(Cl)c2)C2CCCCC2)CC1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-32-10-12-33(13-11-32)19-25(20-6-3-2-4-7-20)31-27(35)16-24-17-30-28(36)26-15-22(18-34(24)26)21-8-5-9-23(29)14-21/h5,8-9,14-15,18,20,24-25H,2-4,6-7,10-13,16-17,19H2,1H3,(H,30,36)(H,31,35)/t24-,25+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

Bioorg Med Chem 21: 7364-80 (2013)


Article DOI: 10.1016/j.bmc.2013.09.054
BindingDB Entry DOI: 10.7270/Q23F4R7S
More data for this
Ligand-Target Pair