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Patent code US9682995

Compile Data Set for Download or QSAR

Found 359 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162190
PNG
(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)
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UniChem
US Patent
n/an/a 210n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162171
PNG
(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)
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UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162106
PNG
(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)
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UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162219
PNG
(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

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162088
PNG
(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)
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UniChem
US Patent
n/an/a 3.80E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162174
PNG
(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)
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UniChem
US Patent
n/an/a 6.20E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162161
PNG
(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

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PC sid
UniChem
US Patent
n/an/a 6.50E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162163
PNG
(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

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UniChem
US Patent
n/an/a 8.40E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162093
PNG
(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)
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US Patent
n/an/a 8.59E+3n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162172
PNG
(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

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PC sid
UniChem
US Patent
n/an/a 8.60E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162207
PNG
(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)
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PC sid
UniChem
US Patent
n/an/a 1.20E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162163
PNG
(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)
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PC sid
UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162188
PNG
(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)
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UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162183
PNG
(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)
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UniChem
US Patent
n/an/a 1.50E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162179
PNG
(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
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162189
PNG
(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)
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PC sid
UniChem
US Patent
n/an/a 1.70E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162155
PNG
(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
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162200
PNG
(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
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162156
PNG
(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)
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UniChem
US Patent
n/an/a 1.90E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162099
PNG
(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
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162105
PNG
(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)
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162108
PNG
(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
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162110
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162115
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162133
PNG
(US9682995, 41)
Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2ccc(Cl)cc2n1
Show InChI InChI=1S/C21H18ClN5OS/c1-3-13-6-4-5-7-15(13)25-20(28)19-12(2)27-29-21(19)26-18-11-23-16-9-8-14(22)10-17(16)24-18/h4-11H,3H2,1-2H3,(H,24,26)(H,25,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162134
PNG
(US9682995, 42)
Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cnc3ccc(Cl)cc3n2)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)25-15-9-21-13-5-3-11(20)7-14(13)24-15/h3-9H,1-2H3,(H,23,27)(H,24,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162143
PNG
(US9682995, 47)
Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2nc3c(cccc3s2)C(F)(F)F)cc1F
Show InChI InChI=1S/C20H14F4N4O2S2/c1-9-15(17(29)25-10-6-7-13(30-2)12(21)8-10)18(32-28-9)27-19-26-16-11(20(22,23)24)4-3-5-14(16)31-19/h3-8H,1-2H3,(H,25,29)(H,26,27)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162161
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162170
PNG
(US9682995, 69)
Show SMILES Cc1nsc(Nc2cncc(C)n2)c1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C16H13F2N5OS/c1-8-6-19-7-13(20-8)22-16-14(9(2)23-25-16)15(24)21-10-3-4-11(17)12(18)5-10/h3-7H,1-2H3,(H,20,22)(H,21,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162175
PNG
(US9682995, 74)
Show SMILES Cc1nsc(Nc2cnc(Cl)cn2)c1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C15H10ClF2N5OS/c1-7-13(14(24)21-8-2-3-9(17)10(18)4-8)15(25-23-7)22-12-6-19-11(16)5-20-12/h2-6H,1H3,(H,20,22)(H,21,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162183
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162184
PNG
(US9682995, 83)
Show SMILES Cc1nsc(Nc2ccc(nn2)C(F)(F)F)c1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C16H10F5N5OS/c1-7-13(14(27)22-8-2-3-9(17)10(18)6-8)15(28-26-7)23-12-5-4-11(24-25-12)16(19,20)21/h2-6H,1H3,(H,22,27)(H,23,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162196
PNG
(US9682995, 94)
Show SMILES COc1ccc(NC(=O)c2c(C)nsc2Nc2cnc3ccccc3n2)cn1
Show InChI InChI=1S/C19H16N6O2S/c1-11-17(18(26)22-12-7-8-16(27-2)21-9-12)19(28-25-11)24-15-10-20-13-5-3-4-6-14(13)23-15/h3-10H,1-2H3,(H,22,26)(H,23,24)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1 (704-1085)


(Homo sapiens (human))
BDBM162215
PNG
(US9682995, 112)
Show SMILES Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C24H18N6O2S/c1-15-22(24(33-30-15)29-20-14-25-18-9-5-6-10-19(18)28-20)23(31)27-16-11-12-21(26-13-16)32-17-7-3-2-4-8-17/h2-14H,1H3,(H,27,31)(H,28,29)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162220
PNG
(US9682995, 117)
Show SMILES COc1ccc(Oc2ccc(CC(=O)c3c(C)nsc3Nc3cc(ccn3)C#N)cn2)cc1
Show InChI InChI=1S/C24H19N5O3S/c1-15-23(24(33-29-15)28-21-12-16(13-25)9-10-26-21)20(30)11-17-3-8-22(27-14-17)32-19-6-4-18(31-2)5-7-19/h3-10,12,14H,11H2,1-2H3,(H,26,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM162225
PNG
(US9682995, 120)
Show SMILES COc1ncc(NC(=O)c2c(C)nsc2Nc2ccc(cn2)C#N)cc1C
Show InChI InChI=1S/C18H16N6O2S/c1-10-6-13(9-21-17(10)26-3)22-16(25)15-11(2)24-27-18(15)23-14-5-4-12(7-19)8-20-14/h4-6,8-9H,1-3H3,(H,20,23)(H,22,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162093
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162105
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162106
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162110
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162119
PNG
(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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162133
PNG
(US9682995, 41)
Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2ccc(Cl)cc2n1
Show InChI InChI=1S/C21H18ClN5OS/c1-3-13-6-4-5-7-15(13)25-20(28)19-12(2)27-29-21(19)26-18-11-23-16-9-8-14(22)10-17(16)24-18/h4-11H,3H2,1-2H3,(H,24,26)(H,25,28)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162145
PNG
(US9682995, 49)
Show SMILES CN(C)C(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C17H15F2N5O2S2/c1-8-13(14(25)21-9-4-5-10(18)11(19)6-9)15(28-23-8)22-17-20-7-12(27-17)16(26)24(2)3/h4-7H,1-3H3,(H,20,22)(H,21,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162146
PNG
(US9682995, 50)
Show SMILES Cc1nsc(Nc2cnc3ccccc3n2)c1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H13F2N5OS/c1-10-17(18(27)23-11-6-7-12(20)13(21)8-11)19(28-26-10)25-16-9-22-14-4-2-3-5-15(14)24-16/h2-9H,1H3,(H,23,27)(H,24,25)
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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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162148
PNG
(US9682995, 51)
Show SMILES Cc1nsc(Nc2nc3c(cccc3s2)C(F)(F)F)c1C(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H11F5N4OS2/c1-8-14(16(29)25-9-5-6-11(20)12(21)7-9)17(31-28-8)27-18-26-15-10(19(22,23)24)3-2-4-13(15)30-18/h2-7H,1H3,(H,25,29)(H,26,27)
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UniProtKB/SwissProt

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US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162158
PNG
(US9682995, 59)
Show SMILES COC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1
Show InChI InChI=1S/C17H13F2N5O3S/c1-8-14(15(25)22-9-3-4-10(18)11(19)5-9)16(28-24-8)23-13-7-20-12(6-21-13)17(26)27-2/h3-7H,1-2H3,(H,21,23)(H,22,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162176
PNG
(US9682995, 75)
Show SMILES CNC(=O)c1cnc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)cn1
Show InChI InChI=1S/C17H14F2N6O2S/c1-8-14(16(27)23-9-3-4-10(18)11(19)5-9)17(28-25-8)24-13-7-21-12(6-22-13)15(26)20-2/h3-7H,1-2H3,(H,20,26)(H,22,24)(H,23,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162179
PNG
(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)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162181
PNG
(US9682995, 80)
Show SMILES CNC(=O)c1ccc(Nc2snc(C)c2C(=O)Nc2ccc(F)c(F)c2)nn1
Show InChI InChI=1S/C17H14F2N6O2S/c1-8-14(16(27)21-9-3-4-10(18)11(19)7-9)17(28-25-8)22-13-6-5-12(23-24-13)15(26)20-2/h3-7H,1-2H3,(H,20,26)(H,21,27)(H,22,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM162187
PNG
(US9682995, 86)
Show SMILES CCc1ccccc1NC(=O)c1c(C)nsc1Nc1cnc2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H18ClN5OS/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)
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n/an/a>2.00E+4n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%