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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'yasuo' and Initial = 'k'   
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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50386816
PNG
(CHEMBL2047943)
Show SMILES Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1)N1CCOCC1
Show InChI InChI=1S/C22H29N7O/c1-15-13-17(29-9-11-30-12-10-29)7-8-18(15)26-22-27-20-19(23-14-24-20)21(28-22)25-16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3,(H3,23,24,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of human MPS1 expressed in Escherichia coli

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433907
PNG
(CHEMBL2380582)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)
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n/an/a 3.10n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433906
PNG
(CHEMBL2380583)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)
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n/an/a 3.70n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 8


(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 4.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA

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
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508967
PNG
(CHEMBL3944613)
Show SMILES OC(=O)c1cn(CC2(CCCC2)n2ccc3cccnc23)cc(O)c1=O
Show InChI InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
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 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433904
PNG
(CHEMBL2380585)
Show SMILES Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1OC1CCCCC1
Show InChI InChI=1S/C23H25N5O3S/c1-28-14-16(13-25-28)19-11-21-20(12-22(19)31-17-7-3-2-4-8-17)23(27-26-21)15-6-5-9-18(10-15)32(24,29)30/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,26,27)(H2,24,29,30)
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n/an/a 7.90n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50349102
PNG
(CHEMBL1236095 | US11208696, Example 3)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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n/an/a 8n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433908
PNG
(CHEMBL2380581)
Show SMILES CCOc1cc2c([nH]nc2cc1-c1cn[nH]c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N5O3S/c1-2-26-17-8-15-16(7-14(17)12-9-20-21-10-12)22-23-18(15)11-4-3-5-13(6-11)27(19,24)25/h3-10H,2H2,1H3,(H,20,21)(H,22,23)(H2,19,24,25)
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n/an/a 9.80n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433903
PNG
(CHEMBL2380586)
Show SMILES Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1NC1CCCCC1
Show InChI InChI=1S/C23H26N6O2S/c1-29-14-16(13-25-29)19-11-22-20(12-21(19)26-17-7-3-2-4-8-17)23(28-27-22)15-6-5-9-18(10-15)32(24,30)31/h5-6,9-14,17,26H,2-4,7-8H2,1H3,(H,27,28)(H2,24,30,31)
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n/an/a 10n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433902
PNG
(CHEMBL2380587)
Show SMILES CC(=O)Nc1cccc(c1)-c1n[nH]c2cc(-c3cnn(C)c3)c(NC3CCCCC3)cc12
Show InChI InChI=1S/C25H28N6O/c1-16(32)27-20-10-6-7-17(11-20)25-22-13-23(28-19-8-4-3-5-9-19)21(12-24(22)29-30-25)18-14-26-31(2)15-18/h6-7,10-15,19,28H,3-5,8-9H2,1-2H3,(H,27,32)(H,29,30)
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n/an/a 12n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508966
PNG
(CHEMBL4452342)
Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)
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n/an/a 14n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433911
PNG
(CHEMBL2380578)
Show SMILES CCOc1cc2c(n[nH]c2cc1C#N)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H14N4O3S/c1-2-23-15-8-13-14(7-11(15)9-17)19-20-16(13)10-4-3-5-12(6-10)24(18,21)22/h3-8H,2H2,1H3,(H,19,20)(H2,18,21,22)
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n/an/a 17n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433903
PNG
(CHEMBL2380586)
Show SMILES Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1NC1CCCCC1
Show InChI InChI=1S/C23H26N6O2S/c1-29-14-16(13-25-29)19-11-22-20(12-21(19)26-17-7-3-2-4-8-17)23(28-27-22)15-6-5-9-18(10-15)32(24,30)31/h5-6,9-14,17,26H,2-4,7-8H2,1H3,(H,27,28)(H2,24,30,31)
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n/an/a 21n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433912
PNG
(CHEMBL2380577)
Show SMILES CCOc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H15N3O3S/c1-2-21-11-6-7-14-13(9-11)15(18-17-14)10-4-3-5-12(8-10)22(16,19)20/h3-9H,2H2,1H3,(H,17,18)(H2,16,19,20)
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n/an/a 28n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433902
PNG
(CHEMBL2380587)
Show SMILES CC(=O)Nc1cccc(c1)-c1n[nH]c2cc(-c3cnn(C)c3)c(NC3CCCCC3)cc12
Show InChI InChI=1S/C25H28N6O/c1-16(32)27-20-10-6-7-17(11-20)25-22-13-23(28-19-8-4-3-5-9-19)21(12-24(22)29-30-25)18-14-26-31(2)15-18/h6-7,10-15,19,28H,3-5,8-9H2,1-2H3,(H,27,32)(H,29,30)
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n/an/a 30n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433910
PNG
(CHEMBL2380579)
Show SMILES CCOc1cc2c(n[nH]c2cc1C#N)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C18H16N4O2/c1-3-24-17-9-15-16(8-13(17)10-19)21-22-18(15)12-5-4-6-14(7-12)20-11(2)23/h4-9H,3H2,1-2H3,(H,20,23)(H,21,22)
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n/an/a 32n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
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
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508959
PNG
(CHEMBL4439208)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H24N2O6/c1-33-13-12-26-15-19(20(16-8-4-2-5-9-16)17-10-6-3-7-11-17)27-14-18(25(31)32)22(28)23(29)21(27)24(26)30/h2-11,14,19-20,29H,12-13,15H2,1H3,(H,31,32)/t19-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433904
PNG
(CHEMBL2380585)
Show SMILES Cn1cc(cn1)-c1cc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2cc1OC1CCCCC1
Show InChI InChI=1S/C23H25N5O3S/c1-28-14-16(13-25-28)19-11-21-20(12-22(19)31-17-7-3-2-4-8-17)23(27-26-21)15-6-5-9-18(10-15)32(24,29)30/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,26,27)(H2,24,29,30)
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n/an/a 74n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508952
PNG
(CHEMBL4513495)
Show SMILES CN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C22H20N2O3/c1-23-14-17(24-13-12-18(25)21(26)20(24)22(23)27)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17,19,26H,14H2,1H3/t17-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433907
PNG
(CHEMBL2380582)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N5O3S/c1-3-27-18-9-16-17(8-15(18)13-10-21-24(2)11-13)22-23-19(16)12-5-4-6-14(7-12)28(20,25)26/h4-11H,3H2,1-2H3,(H,22,23)(H2,20,25,26)
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n/an/a 86n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433916
PNG
(PS653 ('1,6-dihydrodibenzo[c,d,g]indazol-6-one...)
Show SMILES O=C1c2ccccc2-c2[nH]nc3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 98n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin)

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508974
PNG
(CHEMBL4462899)
Show SMILES COCCN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23N3O4/c1-30-15-14-24-16-26(25-13-12-19(27)22(28)21(25)23(24)29)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,20,28H,14-16H2,1H3
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508951
PNG
(CHEMBL4593284)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H26N2O5/c1-31-14-13-26-15-19(27-16-20(32-2)23(28)24(29)22(27)25(26)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21,29H,13-15H2,1-2H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508969
PNG
(CHEMBL4452525)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(Cl)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H23ClN2O4/c1-31-13-12-26-15-19(27-14-18(25)22(28)23(29)21(27)24(26)30)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20,29H,12-13,15H2,1H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508973
PNG
(CHEMBL4468072)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H24N2O4/c1-30-15-14-25-16-19(26-13-12-20(27)23(28)22(26)24(25)29)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,21,28H,14-16H2,1H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433914
PNG
(CHEMBL2380575)
Show SMILES CCOc1ccc2[nH]nc(-c3cccc(NC(C)=O)c3)c2c1
Show InChI InChI=1S/C17H17N3O2/c1-3-22-14-7-8-16-15(10-14)17(20-19-16)12-5-4-6-13(9-12)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
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n/an/a 116n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508968
PNG
(CHEMBL4471885)
Show SMILES COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H23N3O6/c1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30/h2-11,14,19,29H,12-13,15H2,1H3,(H,31,32)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433905
PNG
(CHEMBL2380584)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(CC(C)C)c1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C22H25N5O3S/c1-4-30-21-10-19-20(9-18(21)16-11-24-27(13-16)12-14(2)3)25-26-22(19)15-6-5-7-17(8-15)31(23,28)29/h5-11,13-14H,4,12H2,1-3H3,(H,25,26)(H2,23,28,29)
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n/an/a 119n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
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
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508976
PNG
(CHEMBL4440459)
Show SMILES CN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H19N3O3/c1-22-14-24(23-13-12-17(25)20(26)19(23)21(22)27)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,26H,14H2,1H3
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433909
PNG
(CHEMBL2380580)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1ccccc1)-c1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C21H19N3O3S/c1-2-27-20-13-18-19(12-17(20)14-7-4-3-5-8-14)23-24-21(18)15-9-6-10-16(11-15)28(22,25)26/h3-13H,2H2,1H3,(H,23,24)(H2,22,25,26)
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n/an/a 173n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433913
PNG
(CHEMBL2380576)
Show SMILES CCOc1ccc2[nH]nc(-c3cccc(c3)C(N)=O)c2c1
Show InChI InChI=1S/C16H15N3O2/c1-2-21-12-6-7-14-13(9-12)15(19-18-14)10-4-3-5-11(8-10)16(17)20/h3-9H,2H2,1H3,(H2,17,20)(H,18,19)
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n/an/a 189n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(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 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA

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
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433906
PNG
(CHEMBL2380583)
Show SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1ccc(C)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H21N5O3S/c1-4-28-18-9-16-17(8-15(18)14-10-22-25(3)11-14)23-24-20(16)13-6-5-12(2)19(7-13)29(21,26)27/h5-11H,4H2,1-3H3,(H,23,24)(H2,21,26,27)
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n/an/a 198n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrs

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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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
Mitogen-activated protein kinase 8


(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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TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA

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
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508963
PNG
(CHEMBL4539860)
Show SMILES CC(C)N1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H24N2O3/c1-16(2)26-15-19(25-14-13-20(27)23(28)22(25)24(26)29)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,19,21,28H,15H2,1-2H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508970
PNG
(CHEMBL4463676)
Show SMILES COCCN1C[C@H](Cc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m0/s1
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n/an/a 241n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(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 260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA

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
Polymerase acidic protein


(Hepatitis C virus)		BDBM346898
PNG
(US10202379, Reference Example 557)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(C)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H26N2O4/c1-17-15-27-20(16-26(13-14-31-2)25(30)22(27)24(29)23(17)28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,20-21,29H,13-14,16H2,1-2H3/t20-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508964
PNG
(CHEMBL4465872)
Show SMILES CC(C)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23N3O3/c1-16(2)24-15-26(25-14-13-19(27)22(28)21(25)23(24)29)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,28H,15H2,1-2H3
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508960
PNG
(CHEMBL4473580)
Show SMILES CCOC(=O)c1cn2[C@H](CN(CCOC)C(=O)c2c(O)c1=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O6/c1-3-35-27(33)20-16-29-21(17-28(14-15-34-2)26(32)23(29)25(31)24(20)30)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,21-22,31H,3,14-15,17H2,1-2H3/t21-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(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 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated ATF2 phosphorylation after 1 hr by ELISA

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
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508962
PNG
(CHEMBL4439050)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(N)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H25N3O4/c1-31-13-12-26-15-19(27-14-18(25)22(28)23(29)21(27)24(26)30)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20,29H,12-13,15,25H2,1H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508971
PNG
(CHEMBL4535763)
Show SMILES COCCN1CN(Cc2ccc(F)cc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C18H18FN3O6/c1-28-7-6-20-10-21(8-11-2-4-12(19)5-3-11)22-9-13(18(26)27)15(23)16(24)14(22)17(20)25/h2-5,9,24H,6-8,10H2,1H3,(H,26,27)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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n/an/a 430n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM50433915
PNG
(CHEMBL2380574)
Show SMILES CCOc1ccc2[nH]nc(-c3ccc(NC(C)=O)cc3)c2c1
Show InChI InChI=1S/C17H17N3O2/c1-3-22-14-8-9-16-15(10-14)17(20-19-16)12-4-6-13(7-5-12)18-11(2)21/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
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n/an/a 438n/an/an/an/an/an/a



Shionogi Pharmaceutical Research Center

Curated by ChEMBL


Assay Description
Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIA

J Med Chem 56: 4343-56 (2013)


Article DOI: 10.1021/jm4000215
BindingDB Entry DOI: 10.7270/Q2SF2XJB
More data for this
Ligand-Target Pair
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