Compile Data Set for Download or QSAR

Found 1402 hits of ic50 for UniProtKB: P09211   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259466 (US9512126, 3) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cccc(F)c1O |w:29.33| Show InChI InChI=1S/C27H25F4N5O3/c1-14-11-15(5-8-17(14)26(39)34-16-6-7-16)22-13-33-25-21(32-10-9-27(29,30)31)12-20(35-36(22)25)24(38)18-3-2-4-19(28)23(18)37/h2-5,8,11-13,16,24,32,37-38H,6-7,9-10H2,1H3,(H,34,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259473 (US9512126, 11) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cc(F)ccc1F |w:29.33| Show InChI InChI=1S/C27H24F5N5O2/c1-14-10-15(2-6-18(14)26(39)35-17-4-5-17)23-13-34-25-22(33-9-8-27(30,31)32)12-21(36-37(23)25)24(38)19-11-16(28)3-7-20(19)29/h2-3,6-7,10-13,17,24,33,38H,4-5,8-9H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259483 (US9512126, 24) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cccc(F)c1 Show InChI InChI=1S/C28H25F4N5O/c1-16-12-19(6-9-22(16)27(38)35-21-7-8-21)25-15-34-26-24(33-11-10-28(30,31)32)14-23(36-37(25)26)17(2)18-4-3-5-20(29)13-18/h3-6,9,12-15,21,33H,2,7-8,10-11H2,1H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259467 (US9512126, 4) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(C)(O)c1cccc(F)c1O |w:29.34,29.33| Show InChI InChI=1S/C28H27F4N5O3/c1-15-12-16(6-9-18(15)26(39)35-17-7-8-17)22-14-34-25-21(33-11-10-28(30,31)32)13-23(36-37(22)25)27(2,40)19-4-3-5-20(29)24(19)38/h3-6,9,12-14,17,33,38,40H,7-8,10-11H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259464 (US9512126, 1) Show SMILES COc1ccc(cc1F)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C29H27F4N5O2/c1-16-12-19(4-8-21(16)28(39)36-20-6-7-20)25-15-35-27-24(34-11-10-29(31,32)33)14-23(37-38(25)27)17(2)18-5-9-26(40-3)22(30)13-18/h4-5,8-9,12-15,20,34H,2,6-7,10-11H2,1,3H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259481 (US9512126, 22) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cc(F)ccc1O Show InChI InChI=1S/C28H25F4N5O2/c1-15-11-17(3-7-20(15)27(39)35-19-5-6-19)24-14-34-26-23(33-10-9-28(30,31)32)13-22(36-37(24)26)16(2)21-12-18(29)4-8-25(21)38/h3-4,7-8,11-14,19,33,38H,2,5-6,9-10H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259482 (US9512126, 23) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cc(F)ccc1O Show InChI InChI=1S/C29H27F4N5O2/c1-16-12-17(2-6-20(16)27(40)36-19-4-5-19)23-15-35-26-22(34-11-10-29(31,32)33)14-25(37-38(23)26)28(8-9-28)21-13-18(30)3-7-24(21)39/h2-3,6-7,12-15,19,34,39H,4-5,8-11H2,1H3,(H,36,40)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259476 (US9512126, 15) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cccc(F)c1F Show InChI InChI=1S/C28H24F5N5O/c1-15-12-17(6-9-19(15)27(39)36-18-7-8-18)24-14-35-26-23(34-11-10-28(31,32)33)13-22(37-38(24)26)16(2)20-4-3-5-21(29)25(20)30/h3-6,9,12-14,18,34H,2,7-8,10-11H2,1H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM50042928 (CHEMBL3354567 | US9512126, 13) Show SMILES COc1ccc(cc1F)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C28H25F4N5O3/c1-15-11-16(3-7-19(15)27(39)35-18-5-6-18)23-14-34-26-22(33-10-9-28(30,31)32)13-21(36-37(23)26)25(38)17-4-8-24(40-2)20(29)12-17/h3-4,7-8,11-14,18,33H,5-6,9-10H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259469 (US9512126, 7) Show SMILES COc1cccc(c1)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C28H26F3N5O3/c1-16-12-17(6-9-21(16)27(38)34-19-7-8-19)24-15-33-26-23(32-11-10-28(29,30)31)14-22(35-36(24)26)25(37)18-4-3-5-20(13-18)39-2/h3-6,9,12-15,19,32H,7-8,10-11H2,1-2H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254841 (US9487554, 28) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cnnc(C)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H33N3O3/c1-17-14-20(16-29-30-17)24-8-9-25-23-7-4-18-15-19(27(34)31(3)13-11-26(32)33)5-6-21(18)22(23)10-12-28(24,25)2/h5-6,8,14-16,22-23,25H,4,7,9-13H2,1-3H3,(H,32,33)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259480 (US9512126, 21) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cc(F)ccc1F Show InChI InChI=1S/C27H22F7N5O/c1-14-10-15(2-6-18(14)25(40)37-17-4-5-17)22-13-36-24-21(35-9-8-26(30,31)32)12-23(38-39(22)24)27(33,34)19-11-16(28)3-7-20(19)29/h2-3,6-7,10-13,17,35H,4-5,8-9H2,1H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259472 (US9512126, 10) Show SMILES COc1ccc(cc1)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C29H28F3N5O2/c1-17-14-20(6-11-23(17)28(38)35-21-7-8-21)26-16-34-27-25(33-13-12-29(30,31)32)15-24(36-37(26)27)18(2)19-4-9-22(39-3)10-5-19/h4-6,9-11,14-16,21,33H,2,7-8,12-13H2,1,3H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259474 (US9512126, 12) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=O)c1cc(F)ccc1F Show InChI InChI=1S/C27H22F5N5O2/c1-14-10-15(2-6-18(14)26(39)35-17-4-5-17)23-13-34-25-22(33-9-8-27(30,31)32)12-21(36-37(23)25)24(38)19-11-16(28)3-7-20(19)29/h2-3,6-7,10-13,17,33H,4-5,8-9H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259478 (US9512126, 19) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=C)c1cc(F)ccc1F Show InChI InChI=1S/C28H24F5N5O/c1-15-11-17(3-7-20(15)27(39)36-19-5-6-19)25-14-35-26-24(34-10-9-28(31,32)33)13-23(37-38(25)26)16(2)21-12-18(29)4-8-22(21)30/h3-4,7-8,11-14,19,34H,2,5-6,9-10H2,1H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259465 (US9512126, 2) Show SMILES COc1ccc(cc1F)C(F)(F)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C28H25F6N5O2/c1-15-11-16(3-7-19(15)26(40)37-18-5-6-18)22-14-36-25-21(35-10-9-27(30,31)32)13-24(38-39(22)25)28(33,34)17-4-8-23(41-2)20(29)12-17/h3-4,7-8,11-14,18,35H,5-6,9-10H2,1-2H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM50042931 (CHEMBL3354995 | US9512126, 16) Show SMILES COc1ccc(cc1)C(F)(F)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C28H26F5N5O2/c1-16-13-17(3-10-21(16)26(39)36-19-6-7-19)23-15-35-25-22(34-12-11-27(29,30)31)14-24(37-38(23)25)28(32,33)18-4-8-20(40-2)9-5-18/h3-5,8-10,13-15,19,34H,6-7,11-12H2,1-2H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259475 (US9512126, 14) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(=O)c1cccc(F)c1F Show InChI InChI=1S/C27H22F5N5O2/c1-14-11-15(5-8-17(14)26(39)35-16-6-7-16)22-13-34-25-21(33-10-9-27(30,31)32)12-20(36-37(22)25)24(38)18-3-2-4-19(28)23(18)29/h2-5,8,11-13,16,33H,6-7,9-10H2,1H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM50042932 (CHEMBL3354996 | US9512126, 17) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cccc(F)c1F Show InChI InChI=1S/C29H26F5N5O/c1-16-13-17(5-8-19(16)27(40)37-18-6-7-18)23-15-36-26-22(35-12-11-29(32,33)34)14-24(38-39(23)26)28(9-10-28)20-3-2-4-21(30)25(20)31/h2-5,8,13-15,18,35H,6-7,9-12H2,1H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259468 (US9512126, 5) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)c1cccc(F)c1 |w:29.33| Show InChI InChI=1S/C27H24F5N5O/c1-15-11-16(5-8-20(15)26(38)35-19-6-7-19)23-14-34-25-22(33-10-9-27(30,31)32)13-21(36-37(23)25)24(29)17-3-2-4-18(28)12-17/h2-5,8,11-14,19,24,33H,6-7,9-10H2,1H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM50042930 (CHEMBL3354569 | US9512126, 6) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cccc(F)c1 Show InChI InChI=1S/C27H23F6N5O/c1-15-11-16(5-8-20(15)25(39)36-19-6-7-19)22-14-35-24-21(34-10-9-26(29,30)31)13-23(37-38(22)24)27(32,33)17-3-2-4-18(28)12-17/h2-5,8,11-14,19,34H,6-7,9-10H2,1H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259470 (US9512126, 8) Show SMILES COc1cccc(c1)C(=C)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C29H28F3N5O2/c1-17-13-20(7-10-23(17)28(38)35-21-8-9-21)26-16-34-27-25(33-12-11-29(30,31)32)15-24(36-37(26)27)18(2)19-5-4-6-22(14-19)39-3/h4-7,10,13-16,21,33H,2,8-9,11-12H2,1,3H3,(H,35,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259479 (US9512126, 20) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cc(F)ccc1F Show InChI InChI=1S/C29H26F5N5O/c1-16-12-17(2-6-20(16)27(40)37-19-4-5-19)24-15-36-26-23(35-11-10-29(32,33)34)14-25(38-39(24)26)28(8-9-28)21-13-18(30)3-7-22(21)31/h2-3,6-7,12-15,19,35H,4-5,8-11H2,1H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254826 (US9487554, 13) Show SMILES C[C@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259484 (US9512126, 25) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C1(CC1)c1cccc(F)c1 Show InChI InChI=1S/C29H27F4N5O/c1-17-13-18(5-8-22(17)27(39)36-21-6-7-21)24-16-35-26-23(34-12-11-29(31,32)33)15-25(37-38(24)26)28(9-10-28)19-3-2-4-20(30)14-19/h2-5,8,13-16,21,34H,6-7,9-12H2,1H3,(H,36,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM255549 (US9499534, 1.2) Show SMILES C[C@@H]1C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cn[nH]c1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.959	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9499534 (2016) BindingDB Entry DOI: 10.7270/Q2NG4PJ9
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257454 (US9493441, 5) Show SMILES NC(=O)c1cn(nc1Nc1ccc2c(CCS2(=O)=O)c1)C(CC#N)C1CC1 Show InChI InChI=1S/C18H19N5O3S/c19-7-5-15(11-1-2-11)23-10-14(17(20)24)18(22-23)21-13-3-4-16-12(9-13)6-8-27(16,25)26/h3-4,9-11,15H,1-2,5-6,8H2,(H2,20,24)(H,21,22)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257496 (US9493441, 14-1) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H](CC#N)C2CC2)cc1 |r| Show InChI InChI=1S/C17H19N5O3S/c1-26(24,25)13-6-4-12(5-7-13)20-17-14(16(19)23)10-22(21-17)15(8-9-18)11-2-3-11/h4-7,10-11,15H,2-3,8H2,1H3,(H2,19,23)(H,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM259295 (US9499547, 36) Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1 |r,wU:1.0,wD:3.5,(-6.7,4.12,;-5.37,3.35,;-3.88,3.75,;-3.48,2.26,;-4.97,1.87,;-2.15,1.49,;-.81,2.26,;-.81,3.8,;.52,4.57,;1.85,3.8,;3.32,4.28,;4.22,3.03,;3.32,1.79,;4.09,.45,;3.18,-.79,;4.09,-2.04,;3.77,-3.54,;2.31,-4.02,;4.92,-4.57,;6.38,-4.1,;6.7,-2.59,;5.55,-1.56,;5.55,-.02,;1.85,2.26,;.52,1.49,)| Show InChI InChI=1S/C18H15FN4O2/c19-13-2-1-3-15-12(13)8-16(25-15)14-9-21-17-4-5-18(22-23(14)17)24-11-6-10(20)7-11/h1-5,8-11H,6-7,20H2/t10-,11-	PDB MMDB Reactome pathway 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	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description A recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accession n...				US Patent US9499547 (2016) BindingDB Entry DOI: 10.7270/Q2736PVK
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257448 (US9493441, 4-32) Show SMILES CS(=O)c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C17H19N5O2S/c1-25(24)13-6-4-12(5-7-13)20-17-14(16(19)23)10-22(21-17)15(8-9-18)11-2-3-11/h4-7,10-11,15H,2-3,8H2,1H3,(H2,19,23)(H,20,21)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257449 (US9493441, 4-33) Show SMILES CN1Cc2cc(Nc3nn(cc3C(N)=O)C(CC#N)C3CC3)ccc2C1=O Show InChI InChI=1S/C19H20N6O2/c1-24-9-12-8-13(4-5-14(12)19(24)27)22-18-15(17(21)26)10-25(23-18)16(6-7-20)11-2-3-11/h4-5,8,10-11,16H,2-3,6,9H2,1H3,(H2,21,26)(H,22,23)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257495 (US9493441, 19-1) Show SMILES NC(=O)c1cn(nc1Nc1ccc2C(=O)NCc2c1)[C@H](CC#N)C1CC1 |r| Show InChI InChI=1S/C18H18N6O2/c19-6-5-15(10-1-2-10)24-9-14(16(20)25)17(23-24)22-12-3-4-13-11(7-12)8-21-18(13)26/h3-4,7,9-10,15H,1-2,5,8H2,(H2,20,25)(H,21,26)(H,22,23)/t15-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257457 (US9493441, 6-3) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(N)(=O)=O)C(CC#N)C1CC1 Show InChI InChI=1S/C16H18N6O3S/c17-8-7-14(10-1-2-10)22-9-13(15(18)23)16(21-22)20-11-3-5-12(6-4-11)26(19,24)25/h3-6,9-10,14H,1-2,7H2,(H2,18,23)(H,20,21)(H2,19,24,25)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257458 (US9493441, 6-4) Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C18H22N6O3S/c1-23(2)28(26,27)14-7-5-13(6-8-14)21-18-15(17(20)25)11-24(22-18)16(9-10-19)12-3-4-12/h5-8,11-12,16H,3-4,9H2,1-2H3,(H2,20,25)(H,21,22)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM257460 (US9493441, 8) Show SMILES NC(=O)c1cn(nc1Nc1ccc2C(=O)N(CC(O)=O)Cc2c1)C(CC#N)C1CC1 Show InChI InChI=1S/C20H20N6O4/c21-6-5-16(11-1-2-11)26-9-15(18(22)29)19(24-26)23-13-3-4-14-12(7-13)8-25(20(14)30)10-17(27)28/h3-4,7,9,11,16H,1-2,5,8,10H2,(H2,22,29)(H,23,24)(H,27,28)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 [400-80]/Glutathione S-transferase P (Homo sapiens (Human))	BDBM255620 (US9475815, 5) Show SMILES COc1cc(C)cc2cc(sc12)-c1cc(CN2CC[C@](C)(N)C2)n2ncnc(N)c12 |r| Show InChI InChI=1S/C22H26N6OS/c1-13-6-14-8-18(30-20(14)17(7-13)29-3)16-9-15(10-27-5-4-22(2,24)11-27)28-19(16)21(23)25-12-26-28/h6-9,12H,4-5,10-11,24H2,1-3H3,(H2,23,25,26)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.0	22
BAYER INTELLETUAL PROPERTY GMBH US Patent					Assay Description A recombinant tagged FGFR-1 fusion protein [fusion of glutathione-S-transferase (GST) (N-terminally), His6-tag, thrombin cleavage site, and the intra...				US Patent US9475815 (2016) BindingDB Entry DOI: 10.7270/Q2862FC7
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM255564 (US9499534, 2.11) Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1ccn[nH]1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.11	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9499534 (2016) BindingDB Entry DOI: 10.7270/Q2NG4PJ9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254825 (US9487554, 12) Show SMILES C[C@@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22+,23+,25-,28+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259471 (US9512126, 9) Show SMILES COc1ccc(cc1)C(=O)c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1 Show InChI InChI=1S/C28H26F3N5O3/c1-16-13-18(5-10-21(16)27(38)34-19-6-7-19)24-15-33-26-23(32-12-11-28(29,30)31)14-22(35-36(24)26)25(37)17-3-8-20(39-2)9-4-17/h3-5,8-10,13-15,19,32H,6-7,11-12H2,1-2H3,(H,34,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM255553 (US9499534, 1.6) Show SMILES COc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)[C@@]1(O)CC[C@@H](CC1)C(O)=O |r,wU:28.34,24.27,(4.13,-5.65,;2.8,-6.42,;1.46,-5.65,;.13,-6.42,;-1.2,-5.65,;-2.54,-6.42,;-3.87,-5.65,;-5.2,-6.42,;-6.54,-5.65,;-6.54,-4.11,;-5.2,-3.28,;-3.87,-4.11,;-5.2,-1.74,;-5.2,-.2,;-3.66,-1.74,;-6.74,-1.74,;-1.2,-4.11,;.13,-3.34,;1.46,-4.11,;.13,-1.8,;-1.12,-.89,;-.64,.57,;.9,.57,;1.38,-.89,;1.99,1.66,;2.76,.33,;3.48,1.26,;4.57,2.35,;4.17,3.84,;2.68,4.24,;1.59,3.15,;5.26,4.93,;6.74,4.53,;4.86,6.42,)| Show InChI InChI=1S/C22H21F3N4O4S/c1-33-15-9-13(8-14(10-15)28-20-26-7-4-17(29-20)22(23,24)25)16-11-27-19(34-16)21(32)5-2-12(3-6-21)18(30)31/h4,7-12,32H,2-3,5-6H2,1H3,(H,30,31)(H,26,28,29)/t12-,21+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9499534 (2016) BindingDB Entry DOI: 10.7270/Q2NG4PJ9
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM255572 (US9499534, 2.19) Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1ccc(N)nc1 |r| Show InChI InChI=1S/C28H27F3N6O3S/c1-26(2)14-27(40,7-5-19(26)23(38)39)24-35-13-20(41-24)17-9-16(15-3-4-22(32)34-12-15)10-18(11-17)36-25-33-8-6-21(37-25)28(29,30)31/h3-4,6,8-13,19,40H,5,7,14H2,1-2H3,(H2,32,34)(H,38,39)(H,33,36,37)/t19-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9499534 (2016) BindingDB Entry DOI: 10.7270/Q2NG4PJ9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254815 (US9487554, 2) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254815 (US9487554, 2) Show SMILES CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-28-11-9-22-21-5-4-18(27(34)31(2)12-10-26(32)33)13-17(21)3-6-23(22)25(28)8-7-24(28)19-14-20(29)16-30-15-19/h4-5,7,13-16,22-23,25H,3,6,8-12H2,1-2H3,(H,32,33)/t22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM258453 (US9512169, 7) Show SMILES Cc1cc(cnn1)C1=CC[C@H]2[C@@H]3CCc4cc(OCC(O)=O)ccc4[C@H]3CC[C@]12C |r,t:8| Show InChI InChI=1S/C25H28N2O3/c1-15-11-17(13-26-27-15)22-7-8-23-21-5-3-16-12-18(30-14-24(28)29)4-6-19(16)20(21)9-10-25(22,23)2/h4,6-7,11-13,20-21,23H,3,5,8-10,14H2,1-2H3,(H,28,29)/t20-,21-,23+,25-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay, 50 nl of a 100-fold concentrated solution of the test substance in DMSO were pipetted into a black low-volume 384-well microtiter plat...				US Patent US9512169 (2016) BindingDB Entry DOI: 10.7270/Q24B3081
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254814 (US9487554, 1) Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)NCC3(CCOCC3)C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:33| Show InChI InChI=1S/C31H35FN2O4/c1-30-9-8-24-23-4-3-20(28(35)34-18-31(29(36)37)10-12-38-13-11-31)14-19(23)2-5-25(24)27(30)7-6-26(30)21-15-22(32)17-33-16-21/h3-4,6,14-17,24-25,27H,2,5,7-13,18H2,1H3,(H,34,35)(H,36,37)/t24-,25-,27+,30-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM255552 (US9499534, 1.5) Show SMILES COc1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1cnc(s1)[C@@]1(O)CC[C@H](C(O)=O)C(C)(C)C1 |r| Show InChI InChI=1S/C24H25F3N4O4S/c1-22(2)12-23(34,6-4-16(22)19(32)33)20-29-11-17(36-20)13-8-14(10-15(9-13)35-3)30-21-28-7-5-18(31-21)24(25,26)27/h5,7-11,16,34H,4,6,12H2,1-3H3,(H,32,33)(H,28,30,31)/t16-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9499534 (2016) BindingDB Entry DOI: 10.7270/Q2NG4PJ9
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK/Glutathione S-transferase P (Homo sapiens (Human))	BDBM259477 (US9512126, 18) Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)(F)c1cccc(F)c1F Show InChI InChI=1S/C27H22F7N5O/c1-14-11-15(5-8-17(14)25(40)37-16-6-7-16)21-13-36-24-20(35-10-9-26(30,31)32)12-22(38-39(21)24)27(33,34)18-3-2-4-19(28)23(18)29/h2-5,8,11-13,16,35H,6-7,9-10H2,1H3,(H,37,40)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.7	22
Bayer Intellectual Property GmbH US Patent					Assay Description The human kinase Mps-1 phosphorylates a biotinylated substrate peptide. Detection of the phosphorylated product is achieved by time-resolved fluoresc...				US Patent US9512126 (2016) BindingDB Entry DOI: 10.7270/Q2Q23Z5S
					More data for this Ligand-Target Pair
Glutathione S-transferase P/Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM255558 (US9499534, 2.5) Show SMILES CC1(C)C[C@](O)(CC[C@@H]1C(O)=O)c1ncc(s1)-c1cc(Nc2nccc(n2)C(F)(F)F)cc(c1)-c1ccncc1 |r| Show InChI InChI=1S/C28H26F3N5O3S/c1-26(2)15-27(39,7-3-20(26)23(37)38)24-34-14-21(40-24)18-11-17(16-4-8-32-9-5-16)12-19(13-18)35-25-33-10-6-22(36-25)28(29,30)31/h4-6,8-14,20,39H,3,7,15H2,1-2H3,(H,37,38)(H,33,35,36)/t20-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.56	n/a	n/a	n/a	n/a	7.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A recombinant GST-hSYK fusion protein was used to measure potency of compounds to inhibit human Syk activity. The recombinant human GST-SYK (Carna Bi...				US Patent US9499534 (2016) BindingDB Entry DOI: 10.7270/Q2NG4PJ9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254825 (US9487554, 12) Show SMILES C[C@@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22+,23+,25-,28+/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C3/Glutathione S-transferase P (Homo sapiens (Human))	BDBM254826 (US9487554, 13) Show SMILES C[C@H](CC(O)=O)NC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| Show InChI InChI=1S/C28H31FN2O3/c1-16(11-26(32)33)31-27(34)18-4-5-21-17(12-18)3-6-23-22(21)9-10-28(2)24(7-8-25(23)28)19-13-20(29)15-30-14-19/h4-5,7,12-16,22-23,25H,3,6,8-11H2,1-2H3,(H,31,34)(H,32,33)/t16-,22-,23-,25+,28-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Intellectual Property GmbH; Bayer Pharma Aktiengesellschaft US Patent					Assay Description Essentially, the enzyme activity is measured by quantification of the Coumberol from Coumberone (Halim, M., Yee, D. J., and Sames, D., J. AM. CHEM. S...				US Patent US9487554 (2016) BindingDB Entry DOI: 10.7270/Q2KK99Q9
					More data for this Ligand-Target Pair

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