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Compile Data Set for Download or QSAR

Found 1357 hits of ic50 for UniProtKB: P09211   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259466
PNG
(US9512126, 3)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cccc(F)c1O
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259473
PNG
(US9512126, 11)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(O)c1cc(F)ccc1F
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259483
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259467
PNG
(US9512126, 4)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(C)(O)c1cccc(F)c1O
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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259464
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259481
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259482
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259476
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042928
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259469
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.722



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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254841
PNG
(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
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
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.0n/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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259480
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259472
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259474
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259478
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259465
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042931
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 0.600n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259475
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042932
PNG
(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

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.700n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259468
PNG
(US9512126, 5)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)cc(nn12)C(F)c1cccc(F)c1
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)
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n/an/a 0.700n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50042930
PNG
(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)
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US Patent
n/an/a 0.700n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259470
PNG
(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)
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n/an/a 0.800n/an/an/an/a7.722



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259479
PNG
(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)
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n/an/a 0.800n/an/an/an/a7.722



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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254826
PNG
(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
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
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n/an/a 0.800n/an/an/an/a7.0n/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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259484
PNG
(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)
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n/an/a 0.900n/an/an/an/a7.722



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
GST-Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255549
PNG
(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
Show InChI InChI=1S/C25H23F3N6O3S/c1-13-9-24(37,4-2-18(13)21(35)36)22-30-12-19(38-22)15-6-14(16-10-31-32-11-16)7-17(8-15)33-23-29-5-3-20(34-23)25(26,27)28/h3,5-8,10-13,18,37H,2,4,9H2,1H3,(H,31,32)(H,35,36)(H,29,33,34)/t13-,18+,24-/m1/s1
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n/an/a 0.959n/an/an/an/a7.525



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
GST-JAK1


(Homo sapiens (Human))
BDBM257454
PNG
(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)
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n/an/a 1n/an/an/an/an/a25



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
GST-JAK1


(Homo sapiens (Human))
BDBM257496
PNG
(US9493441, 14-1)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H](CC#N)C2CC2)cc1
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
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n/an/a 1n/an/an/an/an/a25



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
GST-MAP kinase-interacting serine/threonine-protein kinase 1 (MKNK1) (T344D)


(Homo sapiens (Human))
BDBM259295
PNG
(US9499547, 36)
Show SMILES N[C@H]1C[C@@H](C1)Oc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1
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-
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n/an/a 1n/an/an/an/a7.522



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
GST-JAK1


(Homo sapiens (Human))
BDBM257448
PNG
(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)
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n/an/a 1n/an/an/an/an/a25



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
GST-JAK1


(Homo sapiens (Human))
BDBM257449
PNG
(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)
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n/an/a 1n/an/an/an/an/a25



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
GST-JAK1


(Homo sapiens (Human))
BDBM257495
PNG
(US9493441, 19-1)
Show SMILES NC(=O)c1cn(nc1Nc1ccc2C(=O)NCc2c1)[C@H](CC#N)C1CC1
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
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n/an/a 1n/an/an/an/an/a25



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
GST-JAK1


(Homo sapiens (Human))
BDBM257457
PNG
(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)
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n/an/a 1n/an/an/an/an/a25



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
GST-JAK1


(Homo sapiens (Human))
BDBM257458
PNG
(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)
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n/an/a 1n/an/an/an/an/a25



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
GST-JAK1


(Homo sapiens (Human))
BDBM257460
PNG
(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)
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n/an/a 1n/an/an/an/an/a25



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
GST-Fibroblast growth factor receptor 1 (FGFR-1)


(Homo sapiens (Human))
BDBM255620
PNG
(US9475815, 5)
Show SMILES COc1cc(C)cc2cc(sc12)-c1cc(CN2CC[C@](C)(N)C2)n2ncnc(N)c12
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
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n/an/a 1.10n/an/an/an/a7.022



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
GST-Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255564
PNG
(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
Show InChI InChI=1S/C26H25F3N6O3S/c1-24(2)13-25(38,6-3-17(24)21(36)37)22-31-12-19(39-22)15-9-14(18-4-8-32-35-18)10-16(11-15)33-23-30-7-5-20(34-23)26(27,28)29/h4-5,7-12,17,38H,3,6,13H2,1-2H3,(H,32,35)(H,36,37)(H,30,33,34)/t17-,25-/m1/s1
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n/an/a 1.11n/an/an/an/a7.525



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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254825
PNG
(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
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
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n/an/a 1.20n/an/an/an/a7.0n/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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259471
PNG
(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)
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n/an/a 1.20n/an/an/an/a7.722



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
GST-Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255553
PNG
(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
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+
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UniChem
US Patent
n/an/a 1.29n/an/an/an/a7.525



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
GST-Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255572
PNG
(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
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
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UniChem
US Patent
n/an/a 1.29n/an/an/an/a7.525



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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254815
PNG
(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
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
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n/an/a 1.30n/an/an/an/a7.0n/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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254815
PNG
(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
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
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n/an/a 1.40n/an/an/an/a7.0n/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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM258453
PNG
(US9512169, 7)
Show SMILES Cc1cc(cnn1)C1=CC[C@H]2[C@@H]3CCc4cc(OCC(O)=O)ccc4[C@H]3CC[C@]12C
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
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US Patent
n/an/a 1.40n/an/an/an/a7.022



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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254814
PNG
(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
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
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UniChem
US Patent
n/an/a 1.40n/an/an/an/a7.0n/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
GST-Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255552
PNG
(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
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
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UniChem
US Patent
n/an/a 1.40n/an/an/an/a7.525



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
GST-Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM259477
PNG
(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)
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US Patent
n/an/a 1.5n/an/an/an/a7.722



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
GST-Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM255558
PNG
(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
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
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UniChem
US Patent
n/an/a 1.56n/an/an/an/a7.525



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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254825
PNG
(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
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
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n/an/a 1.70n/an/an/an/a7.0n/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
GST-Aldo-keto reductase family 1 member C3 (AKR1C3)


(Homo sapiens (Human))
BDBM254826
PNG
(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
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
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US Patent
n/an/a 1.80n/an/an/an/a7.0n/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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