Compile Data Set for Download or QSAR

Found 359 hits Enz. Inhib. hit(s) with all data for entry = 83   

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
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162190 (US9682995, 89) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2nc3cccnc3s2)cn1 Show InChI InChI=1S/C17H14N6O2S2/c1-9-13(14(24)20-10-5-6-12(25-2)19-8-10)16(27-23-9)22-17-21-11-4-3-7-18-15(11)26-17/h3-8H,1-2H3,(H,20,24)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	210	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162171 (US9682995, 70) Show SMILES CNC(=O)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H14F2N6O2S/c1-8-14(16(27)22-9-3-4-10(18)11(19)5-9)17(28-25-8)24-13-7-21-6-12(23-13)15(26)20-2/h3-7H,1-2H3,(H,20,26)(H,22,27)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162106 (US9682995, 24) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2nccnc2C#N)cn1 Show InChI InChI=1S/C16H13N7O2S/c1-9-13(15(24)21-10-3-4-12(25-2)20-8-10)16(26-23-9)22-14-11(7-17)18-5-6-19-14/h3-6,8H,1-2H3,(H,19,22)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162219 (US9682995, 116) Show SMILES COc1ccc(Oc2ccc(NC(=O)c3c(C)nsc3Nc3cnc4ccccc4n3)cn2)cc1 Show InChI InChI=1S/C25H20N6O3S/c1-15-23(25(35-31-15)30-21-14-26-19-5-3-4-6-20(19)29-21)24(32)28-16-7-12-22(27-13-16)34-18-10-8-17(33-2)9-11-18/h3-14H,1-2H3,(H,28,32)(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	3.60E+3	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162088 (US9682995, 11) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2o1 Show InChI InChI=1S/C20H18N4O2S/c1-3-13-8-4-5-9-14(13)21-18(25)17-12(2)24-27-19(17)23-20-22-15-10-6-7-11-16(15)26-20/h4-11H,3H2,1-2H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162174 (US9682995, 73) Show SMILES CCNC(=O)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C18H16F2N6O2S/c1-3-22-16(27)13-7-21-8-14(24-13)25-18-15(9(2)26-29-18)17(28)23-10-4-5-11(19)12(20)6-10/h4-8H,3H2,1-2H3,(H,22,27)(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM162161 (US9682995, 62) Show SMILES Cc1nsc(Nc2ccc(cn2)C#N)c1C(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H11Cl2N5OS/c1-9-15(16(25)22-11-3-4-12(18)13(19)6-11)17(26-24-9)23-14-5-2-10(7-20)8-21-14/h2-6,8H,1H3,(H,21,23)(H,22,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally His6-tagged recombinant catalytic domain of human Bub1 (amino acids 704-1085), expressed in insect cells (Hi5) and purified by Ni-NTA af...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM162163 (US9682995, 64) Show SMILES Cc1nsc(Nc2cncc(n2)-n2cccn2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C18H13F2N7OS/c1-10-16(17(28)23-11-3-4-12(19)13(20)7-11)18(29-26-10)25-14-8-21-9-15(24-14)27-6-2-5-22-27/h2-9H,1H3,(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally His6-tagged recombinant catalytic domain of human Bub1 (amino acids 704-1085), expressed in insect cells (Hi5) and purified by Ni-NTA af...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162093 (US9682995, 14) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2s1 Show InChI InChI=1S/C20H18N4OS2/c1-3-13-8-4-5-9-14(13)21-18(25)17-12(2)24-27-19(17)23-20-22-15-10-6-7-11-16(15)26-20/h4-11H,3H2,1-2H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.59E+3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM162172 (US9682995, 71) Show SMILES Cc1nsc(Nc2cncc(Cl)n2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C15H10ClF2N5OS/c1-7-13(14(24)20-8-2-3-9(17)10(18)4-8)15(25-23-7)22-12-6-19-5-11(16)21-12/h2-6H,1H3,(H,20,24)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally His6-tagged recombinant catalytic domain of human Bub1 (amino acids 704-1085), expressed in insect cells (Hi5) and purified by Ni-NTA af...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162207 (US9682995, 105) Show SMILES CN(C)c1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H16F2N6OS/c1-9-15(16(26)21-10-4-5-11(18)12(19)6-10)17(27-24-9)23-13-7-20-8-14(22-13)25(2)3/h4-8H,1-3H3,(H,21,26)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162163 (US9682995, 64) Show SMILES Cc1nsc(Nc2cncc(n2)-n2cccn2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C18H13F2N7OS/c1-10-16(17(28)23-11-3-4-12(19)13(20)7-11)18(29-26-10)25-14-8-21-9-15(24-14)27-6-2-5-22-27/h2-9H,1H3,(H,23,28)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162183 (US9682995, 82) Show SMILES Cc1nsc(Nc2cncc(n2)C(F)(F)F)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C16H10F5N5OS/c1-7-13(14(27)23-8-2-3-9(17)10(18)4-8)15(28-26-7)25-12-6-22-5-11(24-12)16(19,20)21/h2-6H,1H3,(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162188 (US9682995, 87) Show SMILES COc1ccc2nc(Nc3snc(C)c3C(=O)Nc3ccc(OC)nc3)sc2c1 Show InChI InChI=1S/C19H17N5O3S2/c1-10-16(17(25)21-11-4-7-15(27-3)20-9-11)18(29-24-10)23-19-22-13-6-5-12(26-2)8-14(13)28-19/h4-9H,1-3H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162179 (US9682995, 78) Show SMILES CCNc1cncc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H16F2N6OS/c1-3-21-13-7-20-8-14(23-13)24-17-15(9(2)25-27-17)16(26)22-10-4-5-11(18)12(19)6-10/h4-8H,3H2,1-2H3,(H,22,26)(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162189 (US9682995, 88) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2nc3ccc(F)cc3s2)cn1 Show InChI InChI=1S/C18H14FN5O2S2/c1-9-15(16(25)21-11-4-6-14(26-2)20-8-11)17(28-24-9)23-18-22-12-5-3-10(19)7-13(12)27-18/h3-8H,1-2H3,(H,21,25)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162155 (US9682995, 57) Show SMILES Cc1nsc(Nc2ccn3nccc3n2)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H12F2N6OS/c1-9-15(16(26)21-10-2-3-11(18)12(19)8-10)17(27-24-9)23-13-5-7-25-14(22-13)4-6-20-25/h2-8H,1H3,(H,21,26)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162200 (US9682995, 98) Show SMILES CCOC(=O)c1coc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C17H14F2N4O4S/c1-3-26-16(25)12-7-27-17(21-12)22-15-13(8(2)23-28-15)14(24)20-9-4-5-10(18)11(19)6-9/h4-7H,3H2,1-2H3,(H,20,24)(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162156 (US9682995, 58) Show SMILES Cc1nsc(Nc2nc3c(ccnc3s2)C(F)(F)F)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C18H10F5N5OS2/c1-7-12(14(29)25-8-2-3-10(19)11(20)6-8)15(31-28-7)27-17-26-13-9(18(21,22)23)4-5-24-16(13)30-17/h2-6H,1H3,(H,25,29)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162099 (US9682995, 19) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2ccccc2n1 Show InChI InChI=1S/C21H19N5OS/c1-3-14-8-4-5-9-15(14)24-20(27)19-13(2)26-28-21(19)25-18-12-22-16-10-6-7-11-17(16)23-18/h4-12H,3H2,1-2H3,(H,23,25)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162101 (US9682995, 20) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2cc(F)ccc2n1 Show InChI InChI=1S/C21H18FN5OS/c1-3-13-6-4-5-7-15(13)25-20(28)19-12(2)27-29-21(19)26-18-11-23-17-10-14(22)8-9-16(17)24-18/h4-11H,3H2,1-2H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162101 (US9682995, 20) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2cc(F)ccc2n1 Show InChI InChI=1S/C21H18FN5OS/c1-3-13-6-4-5-7-15(13)25-20(28)19-12(2)27-29-21(19)26-18-11-23-17-10-14(22)8-9-16(17)24-18/h4-11H,3H2,1-2H3,(H,24,26)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162102 (US9682995, 21) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2nc1C Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)25-21(28)19-13(2)27-29-22(19)26-20-14(3)23-17-11-7-8-12-18(17)24-20/h5-12H,4H2,1-3H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162102 (US9682995, 21) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc2ccccc2nc1C Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)25-21(28)19-13(2)27-29-22(19)26-20-14(3)23-17-11-7-8-12-18(17)24-20/h5-12H,4H2,1-3H3,(H,24,26)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162103 (US9682995, 22) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cnc3cccc(C)c3n2)cn1 Show InChI InChI=1S/C20H18N6O2S/c1-11-5-4-6-14-18(11)24-15(10-21-14)25-20-17(12(2)26-29-20)19(27)23-13-7-8-16(28-3)22-9-13/h4-10H,1-3H3,(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162103 (US9682995, 22) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cnc3cccc(C)c3n2)cn1 Show InChI InChI=1S/C20H18N6O2S/c1-11-5-4-6-14-18(11)24-15(10-21-14)25-20-17(12(2)26-29-20)19(27)23-13-7-8-16(28-3)22-9-13/h4-10H,1-3H3,(H,23,27)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162105 (US9682995, 23) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cnc3cc(Cl)ccc3n2)cn1 Show InChI InChI=1S/C19H15ClN6O2S/c1-10-17(18(27)23-12-4-6-16(28-2)22-8-12)19(29-26-10)25-15-9-21-14-7-11(20)3-5-13(14)24-15/h3-9H,1-2H3,(H,23,27)(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162105 (US9682995, 23) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cnc3cc(Cl)ccc3n2)cn1 Show InChI InChI=1S/C19H15ClN6O2S/c1-10-17(18(27)23-12-4-6-16(28-2)22-8-12)19(29-26-10)25-15-9-21-14-7-11(20)3-5-13(14)24-15/h3-9H,1-2H3,(H,23,27)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162106 (US9682995, 24) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2nccnc2C#N)cn1 Show InChI InChI=1S/C16H13N7O2S/c1-9-13(15(24)21-10-3-4-12(25-2)20-8-10)16(26-23-9)22-14-11(7-17)18-5-6-19-14/h3-6,8H,1-2H3,(H,19,22)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162108 (US9682995, 25) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cc(ccn2)C#N)cn1 Show InChI InChI=1S/C17H14N6O2S/c1-10-15(16(24)21-12-3-4-14(25-2)20-9-12)17(26-23-10)22-13-7-11(8-18)5-6-19-13/h3-7,9H,1-2H3,(H,19,22)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162108 (US9682995, 25) Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cc(ccn2)C#N)cn1 Show InChI InChI=1S/C17H14N6O2S/c1-10-15(16(24)21-12-3-4-14(25-2)20-9-12)17(26-23-10)22-13-7-11(8-18)5-6-19-13/h3-7,9H,1-2H3,(H,19,22)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162109 (US9682995, 26) Show SMILES CCOC(=O)c1sc(Nc2snc(C)c2C(=O)Nc2ccccc2CC)nc1C Show InChI InChI=1S/C20H22N4O3S2/c1-5-13-9-7-8-10-14(13)22-17(25)15-11(3)24-29-18(15)23-20-21-12(4)16(28-20)19(26)27-6-2/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162109 (US9682995, 26) Show SMILES CCOC(=O)c1sc(Nc2snc(C)c2C(=O)Nc2ccccc2CC)nc1C Show InChI InChI=1S/C20H22N4O3S2/c1-5-13-9-7-8-10-14(13)22-17(25)15-11(3)24-29-18(15)23-20-21-12(4)16(28-20)19(26)27-6-2/h7-10H,5-6H2,1-4H3,(H,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162110 (US9682995, 27) Show SMILES Cc1nsc(Nc2cc(ccn2)C#N)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H11F2N5OS/c1-9-15(16(25)22-11-2-3-12(18)13(19)7-11)17(26-24-9)23-14-6-10(8-20)4-5-21-14/h2-7H,1H3,(H,21,23)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162110 (US9682995, 27) Show SMILES Cc1nsc(Nc2cc(ccn2)C#N)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H11F2N5OS/c1-9-15(16(25)22-11-2-3-12(18)13(19)7-11)17(26-24-9)23-14-6-10(8-20)4-5-21-14/h2-7H,1H3,(H,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162111 (US9682995, 28) Show SMILES Cc1nsc(Nc2ccc(cn2)C#N)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H11F2N5OS/c1-9-15(16(25)22-11-3-4-12(18)13(19)6-11)17(26-24-9)23-14-5-2-10(7-20)8-21-14/h2-6,8H,1H3,(H,21,23)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162111 (US9682995, 28) Show SMILES Cc1nsc(Nc2ccc(cn2)C#N)c1C(=O)Nc1ccc(F)c(F)c1 Show InChI InChI=1S/C17H11F2N5OS/c1-9-15(16(25)22-11-3-4-12(18)13(19)6-11)17(26-24-9)23-14-5-2-10(7-20)8-21-14/h2-6,8H,1H3,(H,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162114 (US9682995, 29) Show SMILES CCOC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)s1 Show InChI InChI=1S/C17H17N5O4S2/c1-4-26-16(24)11-8-19-17(27-11)21-15-13(9(2)22-28-15)14(23)20-10-5-6-12(25-3)18-7-10/h5-8H,4H2,1-3H3,(H,19,21)(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162114 (US9682995, 29) Show SMILES CCOC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)s1 Show InChI InChI=1S/C17H17N5O4S2/c1-4-26-16(24)11-8-19-17(27-11)21-15-13(9(2)22-28-15)14(23)20-10-5-6-12(25-3)18-7-10/h5-8H,4H2,1-3H3,(H,19,21)(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162115 (US9682995, 30) Show SMILES CCOC(=O)c1sc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)nc1C Show InChI InChI=1S/C18H19N5O4S2/c1-5-27-17(25)14-10(3)20-18(28-14)22-16-13(9(2)23-29-16)15(24)21-11-6-7-12(26-4)19-8-11/h6-8H,5H2,1-4H3,(H,20,22)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162115 (US9682995, 30) Show SMILES CCOC(=O)c1sc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)nc1C Show InChI InChI=1S/C18H19N5O4S2/c1-5-27-17(25)14-10(3)20-18(28-14)22-16-13(9(2)23-29-16)15(24)21-11-6-7-12(26-4)19-8-11/h6-8H,5H2,1-4H3,(H,20,22)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162116 (US9682995, 31) Show SMILES COC(=O)c1ccc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)nc1 Show InChI InChI=1S/C18H17N5O4S/c1-10-15(16(24)21-12-5-7-14(26-2)20-9-12)17(28-23-10)22-13-6-4-11(8-19-13)18(25)27-3/h4-9H,1-3H3,(H,19,22)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162116 (US9682995, 31) Show SMILES COC(=O)c1ccc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)nc1 Show InChI InChI=1S/C18H17N5O4S/c1-10-15(16(24)21-12-5-7-14(26-2)20-9-12)17(28-23-10)22-13-6-4-11(8-19-13)18(25)27-3/h4-9H,1-3H3,(H,19,22)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162117 (US9682995, 32) Show SMILES COC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)cn1 Show InChI InChI=1S/C17H16N6O4S/c1-9-14(15(24)21-10-4-5-13(26-2)20-6-10)16(28-23-9)22-12-8-18-11(7-19-12)17(25)27-3/h4-8H,1-3H3,(H,19,22)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162117 (US9682995, 32) Show SMILES COC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(OC)nc2)cn1 Show InChI InChI=1S/C17H16N6O4S/c1-9-14(15(24)21-10-4-5-13(26-2)20-6-10)16(28-23-9)22-12-8-18-11(7-19-12)17(25)27-3/h4-8H,1-3H3,(H,19,22)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162118 (US9682995, 33) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2cccc(C)c2n1 Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)24-21(28)19-14(3)27-29-22(19)26-18-12-23-17-11-7-8-13(2)20(17)25-18/h5-12H,4H2,1-3H3,(H,24,28)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162118 (US9682995, 33) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2cccc(C)c2n1 Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-6-10-16(15)24-21(28)19-14(3)27-29-22(19)26-18-12-23-17-11-7-8-13(2)20(17)25-18/h5-12H,4H2,1-3H3,(H,24,28)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162119 (US9682995, 34) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nccnc1C#N Show InChI InChI=1S/C18H16N6OS/c1-3-12-6-4-5-7-13(12)22-17(25)15-11(2)24-26-18(15)23-16-14(10-19)20-8-9-21-16/h4-9H,3H2,1-2H3,(H,21,23)(H,22,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM162119 (US9682995, 34) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nccnc1C#N Show InChI InChI=1S/C18H16N6OS/c1-3-12-6-4-5-7-13(12)22-17(25)15-11(2)24-26-18(15)23-16-14(10-19)20-8-9-21-16/h4-9H,3H2,1-2H3,(H,21,23)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.7	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071) was used. As subst...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 [704-1085] (Homo sapiens (Human))	BDBM162121 (US9682995, 35) Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1nc(C)nc2ccccc12 Show InChI InChI=1S/C22H21N5OS/c1-4-15-9-5-7-11-17(15)25-21(28)19-13(2)27-29-22(19)26-20-16-10-6-8-12-18(16)23-14(3)24-20/h5-12H,4H2,1-3H3,(H,25,28)(H,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9682995 (2017) BindingDB Entry DOI: 10.7270/Q2WH2N5Q
					More data for this Ligand-Target Pair

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