Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'nozu' and Initial = 'k'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072905 (CHEMBL3410078) Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072911 (CHEMBL3410084) Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072900 (CHEMBL3410073) Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50370220 (CHEMBL1163094) Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OC4C(O)C(COP(O)(=O)OC5C(O)C(COP(O)(O)=O)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C30H35N24O19P3/c31-19-10-22(40-4-37-19)52(28(43-10)46-49-34)25-16(58)13(55)7(69-25)2-67-75(62,63)73-18-15(57)9(71-27(18)54-24-12(21(33)39-6-42-24)45-30(54)48-51-36)3-68-76(64,65)72-17-14(56)8(1-66-74(59,60)61)70-26(17)53-23-11(20(32)38-5-41-23)44-29(53)47-50-35/h4-9,13-18,25-27,55-58H,1-3H2,(H,62,63)(H,64,65)(H2,31,37,40)(H2,32,38,41)(H2,33,39,42)(H2,59,60,61)/t7-,8?,9?,13-,14?,15?,16-,17?,18?,25?,26?,27?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50370219 (CHEMBL610868) Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)OC6[C@H](O)[C@@H](COP(O)(O)=O)OC6n6c(N=[N+]=[N-])nc7c(N)ncnc67)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C40H46N32O25P4/c41-25-13-29(53-5-49-25)69(37(57-13)61-65-45)33-21(77)17(73)9(91-33)2-88-99(81,82)96-23-19(75)11(93-35(23)71-31-15(27(43)51-7-55-31)59-39(71)63-67-47)4-90-101(85,86)97-24-20(76)12(94-36(24)72-32-16(28(44)52-8-56-32)60-40(72)64-68-48)3-89-100(83,84)95-22-18(74)10(1-87-98(78,79)80)92-34(22)70-30-14(26(42)50-6-54-30)58-38(70)62-66-46/h5-12,17-24,33-36,73-77H,1-4H2,(H,81,82)(H,83,84)(H,85,86)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)(H2,78,79,80)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22?,23-,24-,33?,34?,35?,36?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072900 (CHEMBL3410073) Show SMILES Nc1cc(ccc1-c1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C#N Show InChI InChI=1S/C29H29N7O2/c30-15-19-1-8-23(24(31)13-19)25-14-26(32-16-18-9-11-38-12-10-18)28-33-17-27(36(28)35-25)20-2-4-21(5-3-20)29(37)34-22-6-7-22/h1-5,8,13-14,17-18,22,32H,6-7,9-12,16,31H2,(H,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072905 (CHEMBL3410078) Show SMILES Oc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H29N5O4/c34-24-3-1-2-4-25(24)37-26-15-22(29-16-18-11-13-36-14-12-18)27-30-17-23(33(27)32-26)19-5-7-20(8-6-19)28(35)31-21-9-10-21/h1-8,15,17-18,21,29,34H,9-14,16H2,(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072911 (CHEMBL3410084) Show SMILES CC(C)(Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C(F)(F)F Show InChI InChI=1S/C26H31F3N6O2/c1-25(2,26(27,28)29)33-22-13-20(30-14-16-9-11-37-12-10-16)23-31-15-21(35(23)34-22)17-3-5-18(6-4-17)24(36)32-19-7-8-19/h3-6,13,15-16,19,30H,7-12,14H2,1-2H3,(H,32,36)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50373177 (CHEMBL404038) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |w:25.27,15.17,35.37,39.41| Show InChI InChI=1S/C30H40N15O25P5/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(64-28)1-61-72(53,54)67-20-17(47)11(65-29(20)44-8-41-14-23(32)35-5-38-26(14)44)2-62-73(55,56)68-21-18(48)12(3-63-74(57,58)70-75(59,60)69-71(50,51)52)66-30(21)45-9-42-15-24(33)36-6-39-27(15)45/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072910 (CHEMBL3410083) Show SMILES CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072902 (CHEMBL3410075) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Oc3ccccc3)nn12 Show InChI InChI=1S/C28H29N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h1-9,16,18-19,22,29H,10-15,17H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072904 (CHEMBL3410077) Show SMILES Fc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50421415 (CHEMBL414948) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[C@@H]2[C@H](O)[C@@H](CO[P@](O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-19(49)16(46)10(60-28)2-58-66(53,54)64-21-18(48)12(62-30(21)45-9-42-15-24(33)36-6-39-27(15)45)3-59-67(55,56)63-20-17(47)11(1-57-65(50,51)52)61-29(20)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,28-,29-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072908 (CHEMBL3410081) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12 Show InChI InChI=1S/C27H34N6O2/c34-27(31-22-9-10-22)20-7-5-19(6-8-20)24-17-29-26-23(28-16-18-11-13-35-14-12-18)15-25(32-33(24)26)30-21-3-1-2-4-21/h5-8,15,17-18,21-22,28H,1-4,9-14,16H2,(H,30,32)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072899 (CHEMBL3410072) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(nn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C29H28N6O2/c30-16-19-1-3-21(4-2-19)25-15-26(31-17-20-11-13-37-14-12-20)28-32-18-27(35(28)34-25)22-5-7-23(8-6-22)29(36)33-24-9-10-24/h1-8,15,18,20,24,31H,9-14,17H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072908 (CHEMBL3410081) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12 Show InChI InChI=1S/C27H34N6O2/c34-27(31-22-9-10-22)20-7-5-19(6-8-20)24-17-29-26-23(28-16-18-11-13-35-14-12-18)15-25(32-33(24)26)30-21-3-1-2-4-21/h5-8,15,17-18,21-22,28H,1-4,9-14,16H2,(H,30,32)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072909 (CHEMBL3410082) Show SMILES CC(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C25H32N6O2/c1-16(2)28-23-13-21(26-14-17-9-11-33-12-10-17)24-27-15-22(31(24)30-23)18-3-5-19(6-4-18)25(32)29-20-7-8-20/h3-6,13,15-17,20,26H,7-12,14H2,1-2H3,(H,28,30)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072907 (CHEMBL3410080) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCCC3)nn12 Show InChI InChI=1S/C28H36N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,33)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072903 (CHEMBL3410076) Show SMILES Fc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(cc4)C(=O)NC4CC4)n3n2)cc1 Show InChI InChI=1S/C28H28FN5O3/c29-21-5-9-23(10-6-21)37-26-15-24(30-16-18-11-13-36-14-12-18)27-31-17-25(34(27)33-26)19-1-3-20(4-2-19)28(35)32-22-7-8-22/h1-6,9-10,15,17-18,22,30H,7-8,11-14,16H2,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072910 (CHEMBL3410083) Show SMILES CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C26H34N6O2/c1-26(2,3)30-23-14-21(27-15-17-10-12-34-13-11-17)24-28-16-22(32(24)31-23)18-4-6-19(7-5-18)25(33)29-20-8-9-20/h4-7,14,16-17,20,27H,8-13,15H2,1-3H3,(H,29,33)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072898 (CHEMBL3410071) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C29H28N6O2/c30-15-19-1-3-21(4-2-19)25-18-35-26(22-5-7-23(8-6-22)29(36)33-24-9-10-24)17-32-28(35)27(34-25)31-16-20-11-13-37-14-12-20/h1-8,17-18,20,24H,9-14,16H2,(H,31,34)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072907 (CHEMBL3410080) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCCC3)nn12 Show InChI InChI=1S/C28H36N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,33)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072904 (CHEMBL3410077) Show SMILES Fc1ccccc1Oc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C28H28FN5O3/c29-22-3-1-2-4-25(22)37-26-15-23(30-16-18-11-13-36-14-12-18)27-31-17-24(34(27)33-26)19-5-7-20(8-6-19)28(35)32-21-9-10-21/h1-8,15,17-18,21,30H,9-14,16H2,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072902 (CHEMBL3410075) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Oc3ccccc3)nn12 Show InChI InChI=1S/C28H29N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h1-9,16,18-19,22,29H,10-15,17H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072901 (CHEMBL3410074) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(OC3CCCCC3)nn12 Show InChI InChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072903 (CHEMBL3410076) Show SMILES Fc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(cc4)C(=O)NC4CC4)n3n2)cc1 Show InChI InChI=1S/C28H28FN5O3/c29-21-5-9-23(10-6-21)37-26-15-24(30-16-18-11-13-36-14-12-18)27-31-17-25(34(27)33-26)19-1-3-20(4-2-19)28(35)32-22-7-8-22/h1-6,9-10,15,17-18,22,30H,7-8,11-14,16H2,(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072909 (CHEMBL3410082) Show SMILES CC(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(cc3)C(=O)NC3CC3)n2n1 Show InChI InChI=1S/C25H32N6O2/c1-16(2)28-23-13-21(26-14-17-9-11-33-12-10-17)24-27-15-22(31(24)30-23)18-3-5-19(6-4-18)25(32)29-20-7-8-20/h3-6,13,15-17,20,26H,7-12,14H2,1-2H3,(H,28,30)(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072897 (CHEMBL3410070) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072899 (CHEMBL3410072) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(nn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C29H28N6O2/c30-16-19-1-3-21(4-2-19)25-15-26(31-17-20-11-13-37-14-12-20)28-32-18-27(35(28)34-25)22-5-7-23(8-6-22)29(36)33-24-9-10-24/h1-8,15,18,20,24,31H,9-14,17H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072898 (CHEMBL3410071) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccc(cc1)C#N Show InChI InChI=1S/C29H28N6O2/c30-15-19-1-3-21(4-2-19)25-18-35-26(22-5-7-23(8-6-22)29(36)33-24-9-10-24)17-32-28(35)27(34-25)31-16-20-11-13-37-14-12-20/h1-8,17-18,20,24H,9-14,16H2,(H,31,34)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072906 (CHEMBL3410079) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Nc3ccccc3)nn12 Show InChI InChI=1S/C28H30N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h1-9,16,18-19,23,29H,10-15,17H2,(H,31,33)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072901 (CHEMBL3410074) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(OC3CCCCC3)nn12 Show InChI InChI=1S/C28H35N5O3/c34-28(31-22-10-11-22)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-35-15-13-19)16-26(32-33(25)27)36-23-4-2-1-3-5-23/h6-9,16,18-19,22-23,29H,1-5,10-15,17H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072906 (CHEMBL3410079) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)cc(Nc3ccccc3)nn12 Show InChI InChI=1S/C28H30N6O2/c35-28(32-23-10-11-23)21-8-6-20(7-9-21)25-18-30-27-24(29-17-19-12-14-36-15-13-19)16-26(33-34(25)27)31-22-4-2-1-3-5-22/h1-9,16,18-19,23,29H,10-15,17H2,(H,31,33)(H,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072895 (CHEMBL3410068) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nccn12 Show InChI InChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072894 (CHEMBL3410067) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CC3)nccn12 Show InChI InChI=1S/C20H21N5O/c26-20(24-16-7-8-16)15-5-3-14(4-6-15)17-12-23-19-18(21-9-10-25(17)19)22-11-13-1-2-13/h3-6,9-10,12-13,16H,1-2,7-8,11H2,(H,21,22)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072897 (CHEMBL3410070) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nc(cn12)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2/c34-28(31-23-10-11-23)22-8-6-21(7-9-22)25-17-30-27-26(29-16-19-12-14-35-15-13-19)32-24(18-33(25)27)20-4-2-1-3-5-20/h1-9,17-19,23H,10-16H2,(H,29,32)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50370222 (CHEMBL610866) Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)OC4[C@H](O)[C@@H](COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@@H]6[C@H](O)[C@@H](CO)OC6n6c(N=[N+]=[N-])nc7c(N)ncnc67)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C40H45N32O22P3/c41-25-13-29(53-5-49-25)69(37(57-13)61-65-45)33-21(78)17(74)10(89-33)2-85-95(79,80)93-23-19(76)12(91-35(23)71-31-15(27(43)51-7-55-31)59-39(71)63-67-47)4-87-97(83,84)94-24-20(77)11(90-36(24)72-32-16(28(44)52-8-56-32)60-40(72)64-68-48)3-86-96(81,82)92-22-18(75)9(1-73)88-34(22)70-30-14(26(42)50-6-54-30)58-38(70)62-66-46/h5-12,17-24,33-36,73-78H,1-4H2,(H,79,80)(H,81,82)(H,83,84)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22-,23?,24-,33?,34?,35?,36?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50366437 (CHEMBL608874) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-16(47)14(45)9(58-26)1-56-65(52,53)61-18-15(46)10(59-27(18)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)29(63-64(49,50)51)60-28(19)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17+,18-,19-,26?,27-,28-,29-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from mouse L cell extract				Bioorg Med Chem Lett 6: 1785-1790 (1996) Checked by Author Article DOI: 10.1016/0960-894X(96)00314-9 BindingDB Entry DOI: 10.7270/Q2XS5VWT
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072833 (CHEMBL3410060 | US11208696, Example 2) Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C20H23N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)14-3-5-15(6-4-14)20(26)24-16-7-8-16/h3-6,9-10,12-13,16H,7-8,11H2,1-2H3,(H,21,22)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072896 (CHEMBL3410069) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCc3cccs3)nccn12 Show InChI InChI=1S/C21H19N5OS/c27-21(25-16-7-8-16)15-5-3-14(4-6-15)18-13-24-20-19(22-9-10-26(18)20)23-12-17-2-1-11-28-17/h1-6,9-11,13,16H,7-8,12H2,(H,22,23)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072837 (CHEMBL3410064) Show SMILES CCCNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C19H21N5O/c1-2-9-20-17-18-22-12-16(24(18)11-10-21-17)13-3-5-14(6-4-13)19(25)23-15-7-8-15/h3-6,10-12,15H,2,7-9H2,1H3,(H,20,21)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50370227 (CHEMBL610609) Show SMILES Nc1ncnc2n(C3O[C@H](COP(O)(=O)O[C@@H]4[C@H](O)C(COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](CO)OC5n5c(N=[N+]=[N-])nc6c(N)ncnc56)OC4n4c(N=[N+]=[N-])nc5c(N)ncnc45)[C@@H](O)[C@H]3O)c(N=[N+]=[N-])nc12 |r| Show InChI InChI=1S/C30H34N24O16P2/c31-19-10-22(40-4-37-19)52(28(43-10)46-49-34)25-16(59)13(56)8(67-25)2-64-71(60,61)70-18-15(58)9(68-27(18)54-24-12(21(33)39-6-42-24)45-30(54)48-51-36)3-65-72(62,63)69-17-14(57)7(1-55)66-26(17)53-23-11(20(32)38-5-41-23)44-29(53)47-50-35/h4-9,13-18,25-27,55-59H,1-3H2,(H,60,61)(H,62,63)(H2,31,37,40)(H2,32,38,41)(H2,33,39,42)/t7-,8-,9?,13-,14-,15-,16-,17-,18-,25?,26?,27?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072839 (CHEMBL3410066) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCc3ccccc3)nccn12 Show InChI InChI=1S/C23H21N5O/c29-23(27-19-10-11-19)18-8-6-17(7-9-18)20-15-26-22-21(24-12-13-28(20)22)25-14-16-4-2-1-3-5-16/h1-9,12-13,15,19H,10-11,14H2,(H,24,25)(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072834 (CHEMBL3410061) Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CCC1 Show InChI InChI=1S/C21H25N5O/c1-14(2)12-23-19-20-24-13-18(26(20)11-10-22-19)15-6-8-16(9-7-15)21(27)25-17-4-3-5-17/h6-11,13-14,17H,3-5,12H2,1-2H3,(H,22,23)(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072895 (CHEMBL3410068) Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnc2c(NCC3CCOCC3)nccn12 Show InChI InChI=1S/C22H25N5O2/c28-22(26-18-5-6-18)17-3-1-16(2-4-17)19-14-25-21-20(23-9-10-27(19)21)24-13-15-7-11-29-12-8-15/h1-4,9-10,14-15,18H,5-8,11-13H2,(H,23,24)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center 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				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072835 (CHEMBL3410062) Show SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC(C)C Show InChI InChI=1S/C20H25N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)15-5-7-16(8-6-15)20(26)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,21,22)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50072838 (CHEMBL3410065) Show SMILES CC(C)Nc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1 Show InChI InChI=1S/C19H21N5O/c1-12(2)22-17-18-21-11-16(24(18)10-9-20-17)13-3-5-14(6-4-13)19(25)23-15-7-8-15/h3-6,9-12,15H,7-8H2,1-2H3,(H,20,22)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi Pharmaceutical Research Center Curated by ChEMBL					Assay Description Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assay				J Med Chem 58: 1760-75 (2015) Article DOI: 10.1021/jm501599u BindingDB Entry DOI: 10.7270/Q2FF3V2H
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50370221 (CHEMBL610855) Show SMILES Nc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](COP(O)(O)=O)OC4n4c(N)nc5c(N)ncnc45)OC3n3c(N)nc4c(N)ncnc34)OC2n2c(N)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C40H54N24O25P4/c41-25-13-29(53-5-49-25)61(37(45)57-13)33-21(69)17(65)9(83-33)2-80-91(73,74)88-23-19(67)11(85-35(23)63-31-15(59-39(63)47)27(43)51-7-55-31)4-82-93(77,78)89-24-20(68)12(86-36(24)64-32-16(60-40(64)48)28(44)52-8-56-32)3-81-92(75,76)87-22-18(66)10(1-79-90(70,71)72)84-34(22)62-30-14(58-38(62)46)26(42)50-6-54-30/h5-12,17-24,33-36,65-69H,1-4H2,(H2,45,57)(H2,46,58)(H2,47,59)(H2,48,60)(H,73,74)(H,75,76)(H,77,78)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)(H2,70,71,72)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22-,23-,24-,33?,34?,35?,36?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Homo sapiens (Human))	BDBM50366437 (CHEMBL608874) Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](OP(O)(O)=O)O[C@H]3n3cnc4c(N)ncnc34)O[C@H]2n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H36N15O19P3/c30-20-11-23(36-3-33-20)42(6-39-11)26-16(47)14(45)9(58-26)1-56-65(52,53)61-18-15(46)10(59-27(18)43-7-40-12-21(31)34-4-37-24(12)43)2-57-66(54,55)62-19-17(48)29(63-64(49,50)51)60-28(19)44-8-41-13-22(32)35-5-38-25(13)44/h3-10,14-19,26-29,45-48H,1-2H2,(H,52,53)(H,54,55)(H2,30,33,36)(H2,31,34,37)(H2,32,35,38)(H2,49,50,51)/t9-,10-,14-,15-,16-,17+,18-,19-,26?,27-,28-,29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound concentration which displaces 50% of [125I]-labeled 2-5A probe bound to RNase L from rabbit reticulocyte lysate				Bioorg Med Chem Lett 6: 1785-1790 (1996) Checked by Author Article DOI: 10.1016/0960-894X(96)00314-9 BindingDB Entry DOI: 10.7270/Q2XS5VWT
					More data for this Ligand-Target Pair
2-5A-dependent ribonuclease (Mus musculus)	BDBM50370224 (CHEMBL610867) Show SMILES Nc1nc2c(N)ncnc2n1C1O[C@H](COP(O)(=O)OC2[C@H](O)[C@@H](COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@@H]4[C@H](O)[C@@H](CO)OC4n4c(N)nc5c(N)ncnc45)OC3n3c(N)nc4c(N)ncnc34)OC2n2c(N)nc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C40H53N24O22P3/c41-25-13-29(53-5-49-25)61(37(45)57-13)33-21(70)17(66)10(81-33)2-77-87(71,72)85-23-19(68)12(83-35(23)63-31-15(59-39(63)47)27(43)51-7-55-31)4-79-89(75,76)86-24-20(69)11(82-36(24)64-32-16(60-40(64)48)28(44)52-8-56-32)3-78-88(73,74)84-22-18(67)9(1-65)80-34(22)62-30-14(58-38(62)46)26(42)50-6-54-30/h5-12,17-24,33-36,65-70H,1-4H2,(H2,45,57)(H2,46,58)(H2,47,59)(H2,48,60)(H,71,72)(H,73,74)(H,75,76)(H2,41,49,53)(H2,42,50,54)(H2,43,51,55)(H2,44,52,56)/t9-,10-,11-,12-,17-,18-,19-,20-,21-,22-,23?,24-,33?,34?,35?,36?/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gunma University Curated by ChEMBL					Assay Description Displacement of [125I]-labeled 2-5A from 2-5A dependent Ribonuclease L (RNase L) of mouse liver				J Med Chem 46: 4926-32 (2003) Article DOI: 10.1021/jm030035k BindingDB Entry DOI: 10.7270/Q2QR4XVM
					More data for this Ligand-Target Pair

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