BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1251 hits Enz. Inhib. hit(s) with Target = 'Mitotic checkpoint serine/threonine-protein kinase BUB1'   
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


(Homo sapiens (Human))
BDBM415399
PNG
(Preparation of 3-[(4-benzylphenyl)amino]-6,6-dimet...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(Cc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C28H27N3O/c1-28(2)17-23-25(24(32)18-28)27(26(31-23)21-12-14-29-15-13-21)30-22-10-8-20(9-11-22)16-19-6-4-3-5-7-19/h3-15,30-31H,16-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415400
PNG
(Preparation of 6,6-dimethyl-3-[(4-phenoxyphenyl)am...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C27H25N3O2/c1-27(2)16-22-24(23(31)17-27)26(25(30-22)18-12-14-28-15-13-18)29-19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h3-15,29-30H,16-17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415097
PNG
(Preparation of 4-[4-oxo-3-(phenylamino)-4,5,6,7-te...)
Show SMILES O=C1CCCc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1C#N
Show InChI InChI=1S/C20H16N4O/c21-11-13-12-22-10-9-15(13)19-20(23-14-5-2-1-3-6-14)18-16(24-19)7-4-8-17(18)25/h1-3,5-6,9-10,12,23-24H,4,7-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415355
PNG
(Intermediate 1-2-86 | US10428044, Example 468)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(OCc2ccccc2)c1
Show InChI InChI=1S/C28H27N3O2/c1-28(2)16-22-25(23(32)17-28)27(30-21-11-7-4-8-12-21)26(31-22)20-13-14-29-24(15-20)33-18-19-9-5-3-6-10-19/h3-15,30-31H,16-18H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415117
PNG
(Intermediate 1-2-46 | US10428044, Example 217)
Show SMILES Clc1cc(CNC2=C(C(=S)Nc3ccccc3)C(=O)CCC2)cc(Cl)n1
Show InChI InChI=1S/C19H17Cl2N3OS/c20-16-9-12(10-17(21)24-16)11-22-14-7-4-8-15(25)18(14)19(26)23-13-5-2-1-3-6-13/h1-3,5-6,9-10,22H,4,7-8,11H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415307
PNG
(Preparation of 3-(biphenyl-4-ylamino)-6,6-dimethyl...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(cc3)-c3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C27H25N3O/c1-27(2)16-22-24(23(31)17-27)26(25(30-22)20-12-14-28-15-13-20)29-21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,29-30H,16-17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415116
PNG
(Intermediate 1-2-45 | US10428044, Example 216)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1cc(Cl)nc(Cl)c1
Show InChI InChI=1S/C21H19Cl2N3O/c1-21(2)10-14-18(15(27)11-21)20(24-13-6-4-3-5-7-13)19(25-14)12-8-16(22)26-17(23)9-12/h3-9,24-25H,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 0n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378995
PNG
(Preparation of {3-[({2-[1-(4-ethoxy-2,6-difluorobe...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4(CO)COC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C30H28F2N6O4/c1-2-41-20-11-23(31)22(24(32)12-20)14-38-25-6-4-3-5-21(25)27(37-38)29-34-13-26(42-18-30(15-39)16-40-17-30)28(36-29)35-19-7-9-33-10-8-19/h3-13,39H,2,14-18H2,1H3,(H,33,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415317
PNG
(Preparation of 3-{[2-(hydroxymethyl)phenyl]amino}-...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3CO)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C22H23N3O2/c1-22(2)11-17-19(18(27)12-22)21(20(25-17)14-7-9-23-10-8-14)24-16-6-4-3-5-15(16)13-26/h3-10,24-26H,11-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 2.58n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378932
PNG
(2-[1-(6-chloro-2- fluoro-3- methoxybenzyl)- 1H-ind...)
Show SMILES COc1ccc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c1F
Show InChI InChI=1S/C25H20F2N6O2/c1-34-20-8-7-18(26)17(22(20)27)14-33-19-6-4-3-5-16(19)23(32-33)25-29-13-21(35-2)24(31-25)30-15-9-11-28-12-10-15/h3-13H,14H2,1-2H3,(H,28,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378915
PNG
(2-[1-(6-chloro-2-fluoro-3-methylbenzyl)-1H-indazol...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(C)c2F)c2ccccc12
Show InChI InChI=1S/C25H20ClFN6O/c1-15-7-8-19(26)18(22(15)27)14-33-20-6-4-3-5-17(20)23(32-33)25-29-13-21(34-2)24(31-25)30-16-9-11-28-12-10-16/h3-13H,14H2,1-2H3,(H,28,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367598
PNG
(US10227299, Example 288)
Show SMILES C=CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H21N3O/c1-2-6-15-13-18-20(19(26)14-15)22(24-17-7-4-3-5-8-17)21(25-18)16-9-11-23-12-10-16/h2-5,7-12,15,24-25H,1,6,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379026
PNG
(Preparation of 1-[3,5-difluoro-4-({3-[5-methoxy-4-...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C(C)=O)c2ccccc12
Show InChI InChI=1S/C26H20F2N6O2/c1-15(35)16-11-20(27)19(21(28)12-16)14-34-22-6-4-3-5-18(22)24(33-34)26-30-13-23(36-2)25(32-26)31-17-7-9-29-10-8-17/h3-13H,14H2,1-2H3,(H,29,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367317
PNG
(Methyl (6RS)-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...)
Show SMILES COC(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H19N3O3/c1-27-21(26)14-11-16-18(17(25)12-14)20(23-15-5-3-2-4-6-15)19(24-16)13-7-9-22-10-8-13/h2-10,14,23-24H,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379006
PNG
(US10266548, Example 4-2-1 | {3[({2-[1-(2- fluorobe...)
Show SMILES OCC1(COc2cnc(nc2Nc2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)COC1
Show InChI InChI=1S/C28H25FN6O3/c29-22-7-3-1-5-19(22)14-35-23-8-4-2-6-21(23)25(34-35)27-31-13-24(38-18-28(15-36)16-37-17-28)26(33-27)32-20-9-11-30-12-10-20/h1-13,36H,14-18H2,(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379042
PNG
(Preparation of 2-({2-[1-(4-ethoxy-2,6-difluorobenz...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C27H24F2N6O3/c1-2-37-18-13-21(28)20(22(29)14-18)16-35-23-6-4-3-5-19(23)25(34-35)27-31-15-24(38-12-11-36)26(33-27)32-17-7-9-30-10-8-17/h3-10,13-15,36H,2,11-12,16H2,1H3,(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415374
PNG
(Preparation of 3-{[5-fluoro-2-(hydroxymethyl)pheny...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3cc(F)ccc3CO)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-17-19(18(28)11-22)21(20(26-17)13-5-7-24-8-6-13)25-16-9-15(23)4-3-14(16)12-27/h3-9,25-27H,10-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 3.35n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379108
PNG
(2-[1-(4-ethoxy-2,6- difluorobenzyl)-1H- indazol-3-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCC4CNCCO4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1/C30H29F2N7O3/c1-2-40-20-13-24(31)23(25(32)14-20)17-39-26-6-4-3-5-22(26)28(38-39)30-35-16-27(42-18-21-15-34-11-12-41-21)29(37-30)36-19-7-9-33-10-8-19/h3-10,13-14,16,21,34H,2,11-12,15,17-18H2,1H3,(H,33,35,36,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379107
PNG
(Preparation of 5-(2-aminoethoxy)-2-[1-(4-ethoxy-2,...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCCN)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C27H25F2N7O2/c1-2-37-18-13-21(28)20(22(29)14-18)16-36-23-6-4-3-5-19(23)25(35-36)27-32-15-24(38-12-9-30)26(34-27)33-17-7-10-31-11-8-17/h3-8,10-11,13-15H,2,9,12,16,30H2,1H3,(H,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415373
PNG
(Preparation of 3-{[3-fluoro-2-(hydroxymethyl)pheny...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3cccc(F)c3CO)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C22H22FN3O2/c1-22(2)10-17-19(18(28)11-22)21(20(26-17)13-6-8-24-9-7-13)25-16-5-3-4-15(23)14(16)12-27/h3-9,25-27H,10-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 3.45n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415303
PNG
(Intermediate 1-2-69 | US10428044, Example 410)
Show SMILES COCCOc1cnccc1CNC1=C(C(=S)Nc2ccccc2)C(=O)CC(C)(C)C1
Show InChI InChI=1S/C24H29N3O3S/c1-24(2)13-19(26-15-17-9-10-25-16-21(17)30-12-11-29-3)22(20(28)14-24)23(31)27-18-7-5-4-6-8-18/h4-10,16,26H,11-15H2,1-3H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 3.55n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379024
PNG
(Preparation of 2-[1-(4-cyclopropyl-2,6-difluoroben...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(cc2F)C2CC2)c2ccccc12
Show InChI InChI=1S/C27H22F2N6O/c1-36-24-14-31-27(33-26(24)32-18-8-10-30-11-9-18)25-19-4-2-3-5-23(19)35(34-25)15-20-21(28)12-17(13-22(20)29)16-6-7-16/h2-5,8-14,16H,6-7,15H2,1H3,(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415283
PNG
(Preparation of 1-(1-methyl-1H-pyrazol-4-yl)-3-{4-[...)
Show SMILES Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cn1
Show InChI InChI=1S/C24H23N7O2/c1-31-14-17(13-26-31)28-24(33)30-20-12-15(10-11-25-20)22-23(27-16-6-3-2-4-7-16)21-18(29-22)8-5-9-19(21)32/h2-4,6-7,10-14,27,29H,5,8-9H2,1H3,(H2,25,28,30,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 3.96n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367593
PNG
(US10227299, Example 283)
Show SMILES CC(C)(O)[C@@H]1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3O2/c1-22(2,27)15-12-17-19(18(26)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25,27H,12-13H2,1-2H3/t15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367368
PNG
(N,N-Dimethyl-4-oxo-3-(phenylamino)-2-(pyridin-4-yl...)
Show SMILES CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H22N4O2/c1-26(2)22(28)15-12-17-19(18(27)13-15)21(24-16-6-4-3-5-7-16)20(25-17)14-8-10-23-11-9-14/h3-11,15,24-25H,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM395282
PNG
(N-{4-[[(4aR,5aR) or (4aS,5aS)]-3-Anilino-5a-methyl...)
Show SMILES C[C@]12C[C@H]1C(=O)c1c(C2)[nH]c(c1Nc1ccccc1)-c1ccnc(NC(=O)c2c(F)cccc2F)c1
Show InChI InChI=1/C28H22F2N4O2/c1-28-13-17(28)26(35)23-20(14-28)33-24(25(23)32-16-6-3-2-4-7-16)15-10-11-31-21(12-15)34-27(36)22-18(29)8-5-9-19(22)30/h2-12,17,32-33H,13-14H2,1H3,(H,31,34,36)/t17-,28+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10308629 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367372
PNG
((6RS)-6-[(Ethylsulfanyl)methyl]-3-(phenylamino)-2-...)
Show SMILES CCSCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3OS/c1-2-27-14-15-12-18-20(19(26)13-15)22(24-17-6-4-3-5-7-17)21(25-18)16-8-10-23-11-9-16/h3-11,15,24-25H,2,12-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367367
PNG
(N-Methyl-4-oxo-3-(phenylamino)-N-propyl-2-(pyridin...)
Show SMILES CCCN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C24H26N4O2/c1-3-13-28(2)24(30)17-14-19-21(20(29)15-17)23(26-18-7-5-4-6-8-18)22(27-19)16-9-11-25-12-10-16/h4-12,17,26-27H,3,13-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM395252
PNG
((4aS,5aS or 4aR,5aR)-3-(Phenylamino)-2-(pyridin-4-...)
Show SMILES O=C1[C@H]2C[C@H]2Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
Show InChI InChI=1/C20H17N3O/c24-20-15-10-13(15)11-16-17(20)19(22-14-4-2-1-3-5-14)18(23-16)12-6-8-21-9-7-12/h1-9,13,15,22-23H,10-11H2/t13-,15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10308629 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414909
PNG
(Preparation of 3-(phenylamino)-6-(propan-2-yl)-2-(...)
Show SMILES CC(C)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C22H23N3O/c1-14(2)16-12-18-20(19(26)13-16)22(24-17-6-4-3-5-7-17)21(25-18)15-8-10-23-11-9-15/h3-11,14,16,24-25H,12-13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 4.04n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415365
PNG
(Preparation of 1-benzyl-N-{4-[6,6-dimethyl-4-oxo-3...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cnn(Cc3ccccc3)c2)c1
Show InChI InChI=1S/C32H30N6O2/c1-32(2)16-25-28(26(39)17-32)30(35-24-11-7-4-8-12-24)29(36-25)22-13-14-33-27(15-22)37-31(40)23-18-34-38(20-23)19-21-9-5-3-6-10-21/h3-15,18,20,35-36H,16-17,19H2,1-2H3,(H,33,37,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 4.23n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415336
PNG
(Preparation of 1-benzyl-N-{4-[4-oxo-3-(phenylamino...)
Show SMILES O=C(Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1)c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C30H26N6O2/c37-25-13-7-12-24-27(25)29(33-23-10-5-2-6-11-23)28(34-24)21-14-15-31-26(16-21)35-30(38)22-17-32-36(19-22)18-20-8-3-1-4-9-20/h1-6,8-11,14-17,19,33-34H,7,12-13,18H2,(H,31,35,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 4.38n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378946
PNG
(2-[1-(2-chloro- 4,5- dimethylbenzyl)- 1H-indazol-3...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2cc(C)c(C)cc2Cl)c2ccccc12
Show InChI InChI=1S/C26H23ClN6O/c1-16-12-18(21(27)13-17(16)2)15-33-22-7-5-4-6-20(22)24(32-33)26-29-14-23(34-3)25(31-26)30-19-8-10-28-11-9-19/h4-14H,15H2,1-3H3,(H,28,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415357
PNG
(Preparation of N-{4-[4′-oxo-3′-(phenyl...)
Show SMILES O=C(Nc1cc(ccn1)-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1)c1cocn1
Show InChI InChI=1S/C25H21N5O3/c31-19-12-25(7-8-25)11-17-21(19)23(28-16-4-2-1-3-5-16)22(29-17)15-6-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h1-6,9-10,13-14,28-29H,7-8,11-12H2,(H,26,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 4.49n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378960
PNG
(2-[1-(2,6- difluoro-3- methoxybenzyl)- 1H-indazol-...)
Show SMILES COc1ccc(F)c(CN(\N=C\c2ncc(OC)c(Nc3ccncc3)n2)c2ccccc2)c1F
Show InChI InChI=1S/C25H22F2N6O2/c1-34-21-9-8-20(26)19(24(21)27)16-33(18-6-4-3-5-7-18)30-15-23-29-14-22(35-2)25(32-23)31-17-10-12-28-13-11-17/h3-15H,16H2,1-2H3,(H,28,29,31,32)/b30-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415284
PNG
(Preparation of 1-{4-[6,6-dimethyl-4-oxo-3-(phenyla...)
Show SMILES Cn1cc(NC(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cn1
Show InChI InChI=1S/C26H27N7O2/c1-26(2)12-19-22(20(34)13-26)24(29-17-7-5-4-6-8-17)23(31-19)16-9-10-27-21(11-16)32-25(35)30-18-14-28-33(3)15-18/h4-11,14-15,29,31H,12-13H2,1-3H3,(H2,27,30,32,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 4.52n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379040
PNG
(Preparation of (2R)-3-({2-[1-(2-fluorobenzyl)-1H-i...)
Show SMILES OC[C@@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1/C26H23FN6O3/c27-21-7-3-1-5-17(21)14-33-22-8-4-2-6-20(22)24(32-33)26-29-13-23(36-16-19(35)15-34)25(31-26)30-18-9-11-28-12-10-18/h1-13,19,34-35H,14-16H2,(H,28,29,30,31)/t19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379040
PNG
(Preparation of (2R)-3-({2-[1-(2-fluorobenzyl)-1H-i...)
Show SMILES OC[C@@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1/C26H23FN6O3/c27-21-7-3-1-5-17(21)14-33-22-8-4-2-6-20(22)24(32-33)26-29-13-23(36-16-19(35)15-34)25(31-26)30-18-9-11-28-12-10-18/h1-13,19,34-35H,14-16H2,(H,28,29,30,31)/t19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378973
PNG
(2-[1-(4-ethoxy- 2,6- difluorobenzyl)- 1H-indazol-3...)
Show SMILES CCOc1cc(F)c(Cn2nc(\C(N=C)=N\C(\Nc3ccncc3)=C\OC)c3ccccc23)c(F)c1
Show InChI InChI=1S/C26H24F2N6O2/c1-4-36-18-13-21(27)20(22(28)14-18)15-34-23-8-6-5-7-19(23)25(33-34)26(29-2)32-24(16-35-3)31-17-9-11-30-12-10-17/h5-14,16H,2,4,15H2,1,3H3,(H,30,31)/b24-16+,32-26-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415331
PNG
(2-{[(2-aminopyridin-4-yl)methyl]amino}-4-({[tert-b...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CCl)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1/C22H21ClN4O2/c1-13(28)25-19-11-15(7-8-24-19)21-22(26-16-5-3-2-4-6-16)20-17(27-21)9-14(12-23)10-18(20)29/h2-8,11,14,26-27H,9-10,12H2,1H3,(H,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
UniChem
US Patent
n/an/a 4.61n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US10428044 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378980
PNG
(2-[1-(2-chloro-4- methoxybenzyl)- 1H-indazol-3-yl]...)
Show SMILES COc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C25H21ClN6O2/c1-33-18-8-7-16(20(26)13-18)15-32-21-6-4-3-5-19(21)23(31-32)25-28-14-22(34-2)24(30-25)29-17-9-11-27-12-10-17/h3-14H,15H2,1-2H3,(H,27,28,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378991
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C25H20F2N6O2/c1-2-35-16-11-19(26)18(20(27)12-16)14-33-21-6-4-3-5-17(21)23(32-33)25-29-13-22(34)24(31-25)30-15-7-9-28-10-8-15/h3-13,34H,2,14H2,1H3,(H,28,29,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM341151
PNG
(4-({2-[4-chloro-5-cyclopropyl-1-(4-ethoxy-2,6-difl...)
Show SMILES CCOc1cc(F)c(Cn2nc(c(Cl)c2C2CC2)-c2nccc(Nc3ccncc3C(=O)NC)n2)c(F)c1
Show InChI InChI=1S/C26H24ClF2N7O2/c1-3-38-15-10-18(28)17(19(29)11-15)13-36-24(14-4-5-14)22(27)23(35-36)25-32-9-7-21(34-25)33-20-6-8-31-12-16(20)26(37)30-2/h6-12,14H,3-5,13H2,1-2H3,(H,30,37)(H,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4.70n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In a typical assay 11 different concentrations of each compound (0.1 nM, 0.33 nM, 1.1 nM, 3.8 nM, 13 nM, 44 nM, 0.15 μM, 0.51 μM, 1.7 μ...


US Patent US9765058 (2017)


Article DOI: 10.1016/j.bmc.2005.11.005
BindingDB Entry DOI: 10.7270/Q2JQ1347
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379045
PNG
(4-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 5-(2...)
Show SMILES CNC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C27H24FN7O3/c1-29-27(37)19-14-30-11-10-21(19)32-25-23(38-13-12-36)15-31-26(33-25)24-18-7-3-5-9-22(18)35(34-24)16-17-6-2-4-8-20(17)28/h2-11,14-15,36H,12-13,16H2,1H3,(H,29,37)(H,30,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM378982
PNG
(2-[1-(2,6- difluorobenzyl)- 1H-indazol-3-yl]- 5-me...)
Show SMILES COc1cnc(nc1)-c1nn(Cc2c(F)cccc2F)c2ccccc12
Show InChI InChI=1S/C19H14F2N4O/c1-26-12-9-22-19(23-10-12)18-13-5-2-3-8-17(13)25(24-18)11-14-15(20)6-4-7-16(14)21/h2-10H,11H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379041
PNG
((2S)-3-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]-...)
Show SMILES OC[C@H](O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1/C26H23FN6O3/c27-21-7-3-1-5-17(21)14-33-22-8-4-2-6-20(22)24(32-33)26-29-13-23(36-16-19(35)15-34)25(31-26)30-18-9-11-28-12-10-18/h1-13,19,34-35H,14-16H2,(H,28,29,30,31)/t19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM379103
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCCS(C)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1/C28H26F2N6O3S/c1-3-38-19-14-22(29)21(23(30)15-19)17-36-24-7-5-4-6-20(24)26(35-36)28-32-16-25(39-12-13-40(2)37)27(34-28)33-18-8-10-31-11-9-18/h4-11,14-16H,3,12-13,17H2,1-2H3,(H,31,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.91n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10266548 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367371
PNG
((6RS)-3-(Phenylamino)-6-[(propan-2-ylsulfanyl)meth...)
Show SMILES CC(C)SCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C23H25N3OS/c1-15(2)28-14-16-12-19-21(20(27)13-16)23(25-18-6-4-3-5-7-18)22(26-19)17-8-10-24-11-9-17/h3-11,15-16,25-26H,12-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367412
PNG
((6RS)—N-Methyl-N-(2-methylpropyl)-4-oxo-3-(ph...)
Show SMILES CC(C)CN(C)C(=O)C1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C25H28N4O2/c1-16(2)15-29(3)25(31)18-13-20-22(21(30)14-18)24(27-19-7-5-4-6-8-19)23(28-20)17-9-11-26-12-10-17/h4-12,16,18,27-28H,13-15H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367349
PNG
((6RS)-6-Ethenyl-3-(phenylamino)-2-(pyridin-4-yl)-1...)
Show SMILES C=CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1/C21H19N3O/c1-2-14-12-17-19(18(25)13-14)21(23-16-6-4-3-5-7-16)20(24-17)15-8-10-22-11-9-15/h2-11,14,23-24H,1,12-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


US Patent US10227299 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1251 total )  |  Next  |  Last  >>
Jump to: