Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 8028   

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))	BDBM229974 (US10188642, Example 2 | US9334286, 2) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C28H28N6O/c1-18-29-15-26(33(18)2)21-8-9-25(27(11-21)35-3)32-28-12-23-10-20(6-7-22(23)13-30-28)24-14-31-34(17-24)16-19-4-5-19/h6-15,17,19H,4-5,16H2,1-3H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230978 (US10188642, Example 105 | US9334286, 105) Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C Show InChI InChI=1S/C25H26N8O2/c1-25(2,34)14-33-13-18(12-28-33)19-7-6-17-11-26-23(10-21(17)29-19)30-20-8-5-16(9-22(20)35-4)24-31-27-15-32(24)3/h5-13,15,34H,14H2,1-4H3,(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230976 (US10188642, Example 103 | US9334286, 103) Show SMILES CCOc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C Show InChI InChI=1S/C26H28N8O2/c1-5-36-23-10-17(25-32-28-16-33(25)4)6-9-21(23)31-24-11-22-18(12-27-24)7-8-20(30-22)19-13-29-34(14-19)15-26(2,3)35/h6-14,16,35H,5,15H2,1-4H3,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230969 (US10188642, Example 95 | US9334286, 95) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC2(C1)CCOC2 Show InChI InChI=1S/C30H33N5O4/c1-29(2,37)16-35-15-24(14-32-35)20-4-5-22-13-31-27(12-23(22)10-20)33-25-7-6-21(11-26(25)38-3)28(36)34-17-30(18-34)8-9-39-19-30/h4-7,10-15,37H,8-9,16-19H2,1-3H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230938 (US10188642, Example 64 | US9334286, 64) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1ncnn1C Show InChI InChI=1S/C26H27N7O2/c1-26(2,34)15-33-14-21(13-29-33)17-5-6-19-12-27-24(11-20(19)9-17)31-22-8-7-18(10-23(22)35-4)25-28-16-30-32(25)3/h5-14,16,34H,15H2,1-4H3,(H,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230937 (US10188642, Example 63 | US9334286, 63) Show SMILES COCc1ncc(-c2ccc(Nc3cc4cc(ccc4cn3)-c3cnn(CC(C)(C)O)c3)c(OC)c2)n1C Show InChI InChI=1S/C29H32N6O3/c1-29(2,36)18-35-16-23(14-32-35)19-6-7-21-13-30-27(12-22(21)10-19)33-24-9-8-20(11-26(24)38-5)25-15-31-28(17-37-4)34(25)3/h6-16,36H,17-18H2,1-5H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230915 (US9334286, 41) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C Show InChI InChI=1S/C26H27N7O2/c1-26(2,34)15-33-14-21(13-29-33)17-5-6-19-12-27-24(11-20(19)9-17)30-22-8-7-18(10-23(22)35-4)25-31-28-16-32(25)3/h5-14,16,34H,15H2,1-4H3,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230979 (US10188642, Example 106 | US9334286, 106) Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C28H29N7O2/c1-18-29-15-25(34(18)2)19-5-8-23(26(11-19)37-3)33-27-12-24-20(13-30-27)6-7-22(32-24)21-14-31-35(16-21)17-28(36)9-4-10-28/h5-8,11-16,36H,4,9-10,17H2,1-3H3,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230904 (US10188642, Example 30 | US9334286, 30) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2(C)COC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C29H30N6O2/c1-19-30-14-26(34(19)3)21-7-8-25(27(10-21)36-4)33-28-11-23-9-20(5-6-22(23)12-31-28)24-13-32-35(15-24)16-29(2)17-37-18-29/h5-15H,16-18H2,1-4H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM229973 (US9334286, 1) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CCOCC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C30H32N6O2/c1-20-31-17-28(35(20)2)23-6-7-27(29(13-23)37-3)34-30-14-25-12-22(4-5-24(25)15-32-30)26-16-33-36(19-26)18-21-8-10-38-11-9-21/h4-7,12-17,19,21H,8-11,18H2,1-3H3,(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230912 (US10188642, Example 38 | US9334286, 38) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)O)c1)-c1cnc(C)n1C |w:24.28| Show InChI InChI=1S/C27H28N6O2/c1-17(34)15-33-16-23(13-30-33)19-5-6-21-12-29-27(11-22(21)9-19)31-24-8-7-20(10-26(24)35-4)25-14-28-18(2)32(25)3/h5-14,16-17,34H,15H2,1-4H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230977 (US10188642, Example 104 | US9334286, 104) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3nc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C27H30N6O4/c1-27(2,35)16-33-13-19(12-29-33)21-7-6-18-11-28-25(10-23(18)30-21)31-22-8-5-17(9-24(22)37-4)26(34)32-14-20(15-32)36-3/h5-13,20,35H,14-16H2,1-4H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230920 (US10188642, Example 46 | US9334286, 46) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C28H31N5O4/c1-28(2,35)17-33-14-22(13-30-33)18-5-6-20-12-29-26(11-21(20)9-18)31-24-8-7-19(10-25(24)37-4)27(34)32-15-23(16-32)36-3/h5-14,23,35H,15-17H2,1-4H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230922 (US10188642, Example 48 | US9334286, 48) Show SMILES CCOc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nncn1C Show InChI InChI=1S/C27H29N7O2/c1-5-36-24-11-19(26-32-29-17-33(26)4)8-9-23(24)31-25-12-21-10-18(6-7-20(21)13-28-25)22-14-30-34(15-22)16-27(2,3)35/h6-15,17,35H,5,16H2,1-4H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230924 (US10188642, Example 50 | US9334286, 50) Show SMILES COc1c(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)ccc(-c2cnc(C)n2C)c1F Show InChI InChI=1S/C28H29FN6O2/c1-17-30-14-24(34(17)4)22-8-9-23(27(37-5)26(22)29)33-25-11-20-10-18(6-7-19(20)12-31-25)21-13-32-35(15-21)16-28(2,3)36/h6-15,36H,16H2,1-5H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230934 (US10188642, Example 60 | US9334286, 60) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N(C)C Show InChI InChI=1S/C26H29N5O3/c1-26(2,33)16-31-15-21(14-28-31)17-6-7-19-13-27-24(12-20(19)10-17)29-22-9-8-18(11-23(22)34-5)25(32)30(3)4/h6-15,33H,16H2,1-5H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230935 (US10188642, Example 61 | US9334286, 61) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)NCCO Show InChI InChI=1S/C26H29N5O4/c1-26(2,34)16-31-15-21(14-29-31)17-4-5-19-13-28-24(12-20(19)10-17)30-22-7-6-18(11-23(22)35-3)25(33)27-8-9-32/h4-7,10-15,32,34H,8-9,16H2,1-3H3,(H,27,33)(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230970 (US10188642, Example 96 | US9334286, 96) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cn(CC(C)(C)O)nn2)c(OC)c1 Show InChI InChI=1S/C27H30N6O4/c1-27(2,35)16-33-15-23(30-31-33)17-5-6-19-12-28-25(11-20(19)9-17)29-22-8-7-18(10-24(22)37-4)26(34)32-13-21(14-32)36-3/h5-12,15,21,35H,13-14,16H2,1-4H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230975 (US10188642, Example 102 | US9334286, 102) Show SMILES COc1cc(ccc1Nc1cc2nc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C Show InChI InChI=1S/C27H29N7O2/c1-17-28-14-24(33(17)4)18-6-9-22(25(10-18)36-5)32-26-11-23-19(12-29-26)7-8-21(31-23)20-13-30-34(15-20)16-27(2,3)35/h6-15,35H,16H2,1-5H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230939 (US10188642, Example 65 | US9334286, 65) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C28H31N5O5S/c1-28(2,35)18-33-17-23(16-30-33)19-4-5-21-15-29-26(14-22(21)12-19)31-24-7-6-20(13-25(24)38-3)27(34)32-8-10-39(36,37)11-9-32/h4-7,12-17,35H,8-11,18H2,1-3H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230940 (US10188642, Example 66 | US9334286, 66) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C29H34N6O3/c1-29(2,37)19-35-18-24(17-31-35)20-5-6-22-16-30-27(15-23(22)13-20)32-25-8-7-21(14-26(25)38-4)28(36)34-11-9-33(3)10-12-34/h5-8,13-18,37H,9-12,19H2,1-4H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230943 (US10188642, Example 69 | US9334286, 69) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1CC(C)(C)O Show InChI InChI=1S/C31H36N6O3/c1-20-32-16-27(37(20)19-31(4,5)39)22-9-10-26(28(12-22)40-6)35-29-13-24-11-21(7-8-23(24)14-33-29)25-15-34-36(17-25)18-30(2,3)38/h7-17,38-39H,18-19H2,1-6H3,(H,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230944 (US9334286, 70) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nnc2CN(C)CCn12 Show InChI InChI=1S/C29H32N8O2/c1-29(2,38)18-36-16-23(15-31-36)19-5-6-21-14-30-26(13-22(21)11-19)32-24-8-7-20(12-25(24)39-4)28-34-33-27-17-35(3)9-10-37(27)28/h5-8,11-16,38H,9-10,17-18H2,1-4H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230965 (US10188642, Example 91 | US9334286, 91) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC(F)F)c1 Show InChI InChI=1S/C28H29F2N5O4/c1-28(2,37)16-35-13-21(12-32-35)17-4-5-19-11-31-25(10-20(19)8-17)33-23-7-6-18(9-24(23)39-27(29)30)26(36)34-14-22(15-34)38-3/h4-13,22,27,37H,14-16H2,1-3H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230966 (US10188642, Example 92 | US9334286, 92) Show SMILES CCOc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CC(C1)OC Show InChI InChI=1S/C29H33N5O4/c1-5-38-26-11-20(28(35)33-16-24(17-33)37-4)8-9-25(26)32-27-12-22-10-19(6-7-21(22)13-30-27)23-14-31-34(15-23)18-29(2,3)36/h6-15,24,36H,5,16-18H2,1-4H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230903 (US10188642, Example 29 | US9334286, 29) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C Show InChI InChI=1S/C28H30N6O2/c1-18-29-15-25(33(18)4)20-8-9-24(26(11-20)36-5)32-27-12-22-10-19(6-7-21(22)13-30-27)23-14-31-34(16-23)17-28(2,3)35/h6-16,35H,17H2,1-5H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230898 (US10188642, Example 24 | US9334286, 24) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)c(OC)c1 Show InChI InChI=1S/C25H25N5O3/c1-29-13-20(12-27-29)16-4-5-18-11-26-24(10-19(18)8-16)28-22-7-6-17(9-23(22)33-3)25(31)30-14-21(15-30)32-2/h4-13,21H,14-15H2,1-3H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230897 (US10188642, Example 23 | US9334286, 23) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)-c1cnc(C)n1C Show InChI InChI=1S/C25H24N6O/c1-16-26-14-23(31(16)3)18-7-8-22(24(10-18)32-4)29-25-11-20-9-17(5-6-19(20)12-27-25)21-13-28-30(2)15-21/h5-15H,1-4H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230894 (US10188642, Example 20 | US9334286, 20) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1C)-c1cnc(C)n1C Show InChI InChI=1S/C26H26N6O/c1-16-22(14-29-32(16)4)18-6-7-20-13-28-26(12-21(20)10-18)30-23-9-8-19(11-25(23)33-5)24-15-27-17(2)31(24)3/h6-15H,1-5H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230885 (US10188642, Example 11 | US9334286, 11) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1ccc(C)nc1)-c1cnc(C)n1C Show InChI InChI=1S/C27H25N5O/c1-17-5-6-21(14-28-17)19-7-8-22-15-30-27(13-23(22)11-19)31-24-10-9-20(12-26(24)33-4)25-16-29-18(2)32(25)3/h5-16H,1-4H3,(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM229975 (US10188642, Example 3 | US9334286, 3) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(F)F)c1)-c1cnc(C)n1C Show InChI InChI=1S/C26H24F2N6O/c1-16-29-13-23(33(16)2)18-6-7-22(24(9-18)35-3)32-26-10-20-8-17(4-5-19(20)11-30-26)21-12-31-34(14-21)15-25(27)28/h4-14,25H,15H2,1-3H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230968 (US10188642, Example 94 | US9334286, 94) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)C(=O)N1CCC(CC1)C#N Show InChI InChI=1S/C30H32N6O3/c1-30(2,38)19-36-18-25(17-33-36)21-4-5-23-16-32-28(14-24(23)12-21)34-26-7-6-22(13-27(26)39-3)29(37)35-10-8-20(15-31)9-11-35/h4-7,12-14,16-18,20,38H,8-11,19H2,1-3H3,(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230905 (US10188642, Example 31 | US9334286, 31) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CCOC)cc2c1 Show InChI InChI=1S/C29H32N6O3/c1-20-30-18-27(35(20)10-12-37-3)22-7-8-26(28(14-22)38-4)33-29-15-24-13-21(5-6-23(24)16-31-29)25-17-32-34(19-25)9-11-36-2/h5-8,13-19H,9-12H2,1-4H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230889 (US10188642, Example 15 | US9334286, 15) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(c1)C(C)C)-c1cnc(C)n1C Show InChI InChI=1S/C27H28N6O/c1-17(2)33-16-23(14-30-33)19-6-7-21-13-29-27(12-22(21)10-19)31-24-9-8-20(11-26(24)34-5)25-15-28-18(3)32(25)4/h6-17H,1-5H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230890 (US10188642, Example 16 | US9334286, 16) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cccnc1)-c1cnc(C)n1C Show InChI InChI=1S/C26H23N5O/c1-17-28-16-24(31(17)2)19-8-9-23(25(12-19)32-3)30-26-13-22-11-18(6-7-21(22)15-29-26)20-5-4-10-27-14-20/h4-16H,1-3H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230895 (US10188642, Example 21 | US9334286, 21) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1)-c1cncn1C Show InChI InChI=1S/C24H22N6O/c1-29-15-25-13-22(29)17-6-7-21(23(9-17)31-3)28-24-10-19-8-16(4-5-18(19)11-26-24)20-12-27-30(2)14-20/h4-15H,1-3H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230902 (US10188642, Example 28 | US9334286, 28) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2CCC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C29H30N6O/c1-19-30-16-27(34(19)2)22-9-10-26(28(12-22)36-3)33-29-13-24-11-21(7-8-23(24)14-31-29)25-15-32-35(18-25)17-20-5-4-6-20/h7-16,18,20H,4-6,17H2,1-3H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230906 (US9334286, 32) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)-c3cnc(C)n3CO)cc2c1 Show InChI InChI=1S/C27H28N6O3/c1-18-28-15-25(33(18)17-34)20-6-7-24(26(11-20)36-3)31-27-12-22-10-19(4-5-21(22)13-29-27)23-14-30-32(16-23)8-9-35-2/h4-7,10-16,34H,8-9,17H2,1-3H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230907 (US10188642, Example 33 | US9334286, 33) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(c1)C1COC1)-c1cnc(C)n1C Show InChI InChI=1S/C27H26N6O2/c1-17-28-13-25(32(17)2)19-6-7-24(26(9-19)34-3)31-27-10-21-8-18(4-5-20(21)11-29-27)22-12-30-33(14-22)23-15-35-16-23/h4-14,23H,15-16H2,1-3H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230908 (US10188642, Example 34 | US9334286, 34) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(C)c1CO)-c1cnc(C)n1C Show InChI InChI=1S/C26H26N6O2/c1-16-27-14-23(31(16)2)18-7-8-22(25(10-18)34-4)30-26-11-20-9-17(5-6-19(20)12-28-26)21-13-29-32(3)24(21)15-33/h5-14,33H,15H2,1-4H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230909 (US10188642, Example 35 | US9334286, 35) Show SMILES COCCn1c(C)ncc1-c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C30H34N6O3/c1-20-31-17-27(36(20)10-11-38-4)22-8-9-26(28(13-22)39-5)34-29-14-24-12-21(6-7-23(24)15-32-29)25-16-33-35(18-25)19-30(2,3)37/h6-9,12-18,37H,10-11,19H2,1-5H3,(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230910 (US10188642, Example 36 | US9334286, 36) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnn(C)c1CO Show InChI InChI=1S/C28H30N6O3/c1-28(2,36)17-34-15-22(13-31-34)18-5-6-20-12-29-27(11-21(20)9-18)32-24-8-7-19(10-26(24)37-4)23-14-30-33(3)25(23)16-35/h5-15,35-36H,16-17H2,1-4H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230916 (US10188642, Example 42 | US9334286, 42) Show SMILES Cc1ncc(-c2ccc(Nc3cc4cc(ccc4cn3)-c3cnn(CC(C)(C)O)c3)c(Cl)c2)n1C Show InChI InChI=1S/C27H27ClN6O/c1-17-29-14-25(33(17)4)19-7-8-24(23(28)10-19)32-26-11-21-9-18(5-6-20(21)12-30-26)22-13-31-34(15-22)16-27(2,3)35/h5-15,35H,16H2,1-4H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230917 (US10188642, Example 43 | US9334286, 43) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC2(O)CCC2)c1)-c1cnc(C)n1C Show InChI InChI=1S/C29H30N6O2/c1-19-30-16-26(34(19)2)21-7-8-25(27(12-21)37-3)33-28-13-23-11-20(5-6-22(23)14-31-28)24-15-32-35(17-24)18-29(36)9-4-10-29/h5-8,11-17,36H,4,9-10,18H2,1-3H3,(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230929 (US9334286, 55) Show SMILES COc1cc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1nnc2CN(CCn12)C(=O)OC(C)(C)C Show InChI InChI=1S/C33H38N8O4/c1-32(2,3)45-31(42)39-11-12-41-29(19-39)37-38-30(41)22-9-10-26(27(14-22)44-6)36-28-15-24-13-21(7-8-23(24)16-34-28)25-17-35-40(18-25)20-33(4,5)43/h7-10,13-18,43H,11-12,19-20H2,1-6H3,(H,34,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230930 (US10188642, Example 56 | US9334286, 56) Show SMILES COc1nc(ccc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C Show InChI InChI=1S/C27H29N7O2/c1-17-28-14-24(33(17)4)22-8-9-23(26(32-22)36-5)31-25-11-20-10-18(6-7-19(20)12-29-25)21-13-30-34(15-21)16-27(2,3)35/h6-15,35H,16H2,1-5H3,(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230931 (US10188642, Example 57 | US9334286, 57) Show SMILES COc1cc(cnc1Nc1cc2cc(ccc2cn1)-c1cnn(CC(C)(C)O)c1)-c1cnc(C)n1C Show InChI InChI=1S/C27H29N7O2/c1-17-28-14-23(33(17)4)21-9-24(36-5)26(30-12-21)32-25-10-20-8-18(6-7-19(20)11-29-25)22-13-31-34(15-22)16-27(2,3)35/h6-15,35H,16H2,1-5H3,(H,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230936 (US10188642, Example 62 | US9334286, 62) Show SMILES COCCNC(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)O)c2)c(OC)c1 Show InChI InChI=1S/C27H31N5O4/c1-27(2,34)17-32-16-22(15-30-32)18-5-6-20-14-29-25(13-21(20)11-18)31-23-8-7-19(12-24(23)36-4)26(33)28-9-10-35-3/h5-8,11-16,34H,9-10,17H2,1-4H3,(H,28,33)(H,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230946 (US10188642, Example 72 | US9334286, 72) Show SMILES COCCn1cc(cn1)-c1ccc2cnc(Nc3ccc(cc3OC)C(=O)N3CC(C3)OC)cc2c1 Show InChI InChI=1S/C27H29N5O4/c1-34-9-8-32-15-22(14-29-32)18-4-5-20-13-28-26(12-21(20)10-18)30-24-7-6-19(11-25(24)36-3)27(33)31-16-23(17-31)35-2/h4-7,10-15,23H,8-9,16-17H2,1-3H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM230948 (US10188642, Example 74 | US9334286, 74) Show SMILES COC1CN(C1)C(=O)c1ccc(Nc2cc3cc(ccc3cn2)-c2cnn(CC(C)(C)OC)c2)c(OC)c1 Show InChI InChI=1S/C29H33N5O4/c1-29(2,38-5)18-34-15-23(14-31-34)19-6-7-21-13-30-27(12-22(21)10-19)32-25-9-8-20(11-26(25)37-4)28(35)33-16-24(17-33)36-3/h6-15,24H,16-18H2,1-5H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.0	25
Cancer Research Technology Limited US Patent					Assay Description The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...				US Patent US9334286 (2016) BindingDB Entry DOI: 10.7270/Q2GB22X3
					More data for this Ligand-Target Pair

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