BindingDB logo
myBDB logout

Patent code US10266548

Compile Data Set for Download or QSAR

Found 211 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


(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; 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 US10266548 (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; 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 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; 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 US10266548 (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; 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 US10266548 (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; 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 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; 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 US10266548 (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; 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 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; 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 US10266548 (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; 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 US10266548 (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; 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 US10266548 (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; 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 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; 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 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; 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 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; 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 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; 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 US10266548 (2019)

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; 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 US10266548 (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; 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 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; 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 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; 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 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; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379085
PNG
(4-({2-[1-(2,6- difluoro-4- hydroxybenzyl)-1H- inda...)
Show SMILES COc1cnc(nc1Nc1ccncc1C(N)=O)-c1nn(Cc2c(F)cc(O)cc2F)c2ccccc12
Show InChI InChI=1S/C25H19F2N7O3/c1-37-21-11-30-25(32-24(21)31-19-6-7-29-10-15(19)23(28)36)22-14-4-2-3-5-20(14)34(33-22)12-16-17(26)8-13(35)9-18(16)27/h2-11,35H,12H2,1H3,(H2,28,36)(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 5.03n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379021
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3nccc(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C25H20F2N6O/c1-2-34-17-13-20(26)19(21(27)14-17)15-33-22-6-4-3-5-18(22)24(32-33)25-29-12-9-23(31-25)30-16-7-10-28-11-8-16/h3-14H,2,15H2,1H3,(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 5.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379049
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C26H22F2N6O2/c1-3-36-17-12-20(27)19(21(28)13-17)15-34-22-7-5-4-6-18(22)24(33-34)26-30-14-23(35-2)25(32-26)31-16-8-10-29-11-9-16/h4-14H,3,15H2,1-2H3,(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 5.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379083
PNG
(4-({5-methoxy-2-[1- (4-propylbenzyl)- 1H-indazol-3...)
Show SMILES CCCc1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4C(N)=O)n3)c3ccccc23)cc1
Show InChI InChI=1S/C28H27N7O2/c1-3-6-18-9-11-19(12-10-18)17-35-23-8-5-4-7-20(23)25(34-35)28-31-16-24(37-2)27(33-28)32-22-13-14-30-15-21(22)26(29)36/h4-5,7-16H,3,6,17H2,1-2H3,(H2,29,36)(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 5.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379019
PNG
(1-({2-[1-(4- ethoxy-2,6- difluorobenzyl)- 1H-indaz...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)CN4CCCCC4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1/C33H35F2N7O3/c1-2-44-24-16-27(34)26(28(35)17-24)20-42-29-9-5-4-8-25(29)31(40-42)33-37-18-30(32(39-33)38-22-10-12-36-13-11-22)45-21-23(43)19-41-14-6-3-7-15-41/h4-5,8-13,16-18,23,43H,2-3,6-7,14-15,19-21H2,1H3,(H,36,37,38,39)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378971
PNG
(2-[1-(2,6- difluoro-3- methylbenzyl)- 1H-indazol-3...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)ccc(C)c2F)c2ccccc12
Show InChI InChI=1S/C25H20F2N6O/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 5.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 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 5.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378958
PNG
(2-{1-[4- (difluoro- methoxy)-2,6- difluorobenzyl]-...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(OC(F)F)cc2F)c2ccccc12
Show InChI InChI=1S/C25H18F4N6O2/c1-36-21-12-31-24(33-23(21)32-14-6-8-30-9-7-14)22-16-4-2-3-5-20(16)35(34-22)13-17-18(26)10-15(11-19(17)27)37-25(28)29/h2-12,25H,13H2,1H3,(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 5.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 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 5.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379106
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCCS(C)(=O)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C28H26F2N6O4S/c1-3-39-19-14-22(29)21(23(30)15-19)17-36-24-7-5-4-6-20(24)26(35-36)28-32-16-25(40-12-13-41(2,37)38)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 5.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379004
PNG
(US10266548, Example 4-18 | US10266548, Example 4-2...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1/C30H27F2N7O3/c1-2-41-20-13-23(31)22(24(32)14-20)16-39-25-6-4-3-5-21(25)28(38-39)30-34-15-26(42-17-19-7-8-27(40)35-19)29(37-30)36-18-9-11-33-12-10-18/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,35,40)(H,33,34,36,37)/t19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379004
PNG
(US10266548, Example 4-18 | US10266548, Example 4-2...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC[C@@H]4CCC(=O)N4)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1/C30H27F2N7O3/c1-2-41-20-13-23(31)22(24(32)14-20)16-39-25-6-4-3-5-21(25)28(38-39)30-34-15-26(42-17-19-7-8-27(40)35-19)29(37-30)36-18-9-11-33-12-10-18/h3-6,9-15,19H,2,7-8,16-17H2,1H3,(H,35,40)(H,33,34,36,37)/t19-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 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 6.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 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 6.30n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379064
PNG
(({2-[1-(4-ethoxy- 2,6- difluorobenzyl)- 1H-indazol...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCC(O)=O)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C27H22F2N6O4/c1-2-38-17-11-20(28)19(21(29)12-17)14-35-22-6-4-3-5-18(22)25(34-35)27-31-13-23(39-15-24(36)37)26(33-27)32-16-7-9-30-10-8-16/h3-13H,2,14-15H2,1H3,(H,36,37)(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 6.30n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379046
PNG
(4-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 5-(2...)
Show SMILES NC(=O)c1cnccc1Nc1nc(ncc1OCCO)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C26H22FN7O3/c27-19-7-3-1-5-16(19)15-34-21-8-4-2-6-17(21)23(33-34)26-30-14-22(37-12-11-35)25(32-26)31-20-9-10-29-13-18(20)24(28)36/h1-10,13-14,35H,11-12,15H2,(H2,28,36)(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 6.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379112
PNG
(Preparation of 2-[1-(4-ethoxy-2,6-difluorobenzyl)-...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3c(C)cccc23)c(F)c1
Show InChI InChI=1S/C27H24F2N6O2/c1-4-37-18-12-20(28)19(21(29)13-18)15-35-22-7-5-6-16(2)24(22)25(34-35)27-31-14-23(36-3)26(33-27)32-17-8-10-30-11-9-17/h5-14H,4,15H2,1-3H3,(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 6.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378985
PNG
(2-[1-(2,3- difluoro-4- methylbenzyl)- 1H-indazol-3...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccc(C)c(F)c2F)c2ccccc12
Show InChI InChI=1S/C25H20F2N6O/c1-15-7-8-16(22(27)21(15)26)14-33-19-6-4-3-5-18(19)23(32-33)25-29-13-20(34-2)24(31-25)30-17-9-11-28-12-10-17/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 6.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378917
PNG
(2-[1-(2- chlorobenzyl)- 1H-indazol-3-yl]- 5-methox...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C24H19ClN6O/c1-32-21-14-27-24(29-23(21)28-17-10-12-26-13-11-17)22-18-7-3-5-9-20(18)31(30-22)15-16-6-2-4-8-19(16)25/h2-14H,15H2,1H3,(H,26,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378988
PNG
(2-[1-(2,6- dichlorobenzyl)- 1H-indazol-3-yl]- 5-me...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C24H18Cl2N6O/c1-33-21-13-28-24(30-23(21)29-15-9-11-27-12-10-15)22-16-5-2-3-8-20(16)32(31-22)14-17-18(25)6-4-7-19(17)26/h2-13H,14H2,1H3,(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 6.70n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378919
PNG
(US10266548, Example 2-11-1 | methyl 3-chloro- 4-({...)
Show SMILES COC(=O)c1ccc(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3ccccc23)c(Cl)c1
Show InChI InChI=1S/C26H21ClN6O3/c1-35-22-14-29-25(31-24(22)30-18-9-11-28-12-10-18)23-19-5-3-4-6-21(19)33(32-23)15-17-8-7-16(13-20(17)27)26(34)36-2/h3-14H,15H2,1-2H3,(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 7.10n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379043
PNG
(2-({2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 4-(p...)
Show SMILES OCCOc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C25H21FN6O2/c26-20-7-3-1-5-17(20)16-32-21-8-4-2-6-19(21)23(31-32)25-28-15-22(34-14-13-33)24(30-25)29-18-9-11-27-12-10-18/h1-12,15,33H,13-14,16H2,(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 7.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378988
PNG
(2-[1-(2,6- dichlorobenzyl)- 1H-indazol-3-yl]- 5-me...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)cccc2Cl)c2ccccc12
Show InChI InChI=1S/C24H18Cl2N6O/c1-33-21-13-28-24(30-23(21)29-15-9-11-27-12-10-15)22-16-5-2-3-8-20(16)32(31-22)14-17-18(25)6-4-7-19(17)26/h2-13H,14H2,1H3,(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 7.30n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378921
PNG
(2-[1-(4-bromo- 2,6- difluorobenzyl)- 1H-indazol-3-...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(Br)cc2F)c2ccccc12
Show InChI InChI=1S/C24H17BrF2N6O/c1-34-21-12-29-24(31-23(21)30-15-6-8-28-9-7-15)22-16-4-2-3-5-20(16)33(32-22)13-17-18(26)10-14(25)11-19(17)27/h2-12H,13H2,1H3,(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 7.30n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379027
PNG
(Preparation of [2,4-dichloro-3-({3-[5-methoxy-4-(p...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(Cl)ccc(CO)c2Cl)c2ccccc12
Show InChI InChI=1S/C25H20Cl2N6O2/c1-35-21-12-29-25(31-24(21)30-16-8-10-28-11-9-16)23-17-4-2-3-5-20(17)33(32-23)13-18-19(26)7-6-15(14-34)22(18)27/h2-12,34H,13-14H2,1H3,(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 7.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379003
PNG
(2-[2-({2-[1-(4- ethoxy-2,6- difluorobenzyl)- 1H-in...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCCOCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C29H28F2N6O4/c1-2-40-20-15-23(30)22(24(31)16-20)18-37-25-6-4-3-5-21(25)27(36-37)29-33-17-26(41-14-13-39-12-11-38)28(35-29)34-19-7-9-32-10-8-19/h3-10,15-17,38H,2,11-14,18H2,1H3,(H,32,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379025
PNG
(2-(1-{2,6-difluoro- 4-[(1E)-prop-1-en- 1-yl]benzyl...)
Show SMILES COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2c(F)cc(\C=C\C)cc2F)c2ccccc12
Show InChI InChI=1S/C27H22F2N6O/c1-3-6-17-13-21(28)20(22(29)14-17)16-35-23-8-5-4-7-19(23)25(34-35)27-31-15-24(36-2)26(33-27)32-18-9-11-30-12-10-18/h3-15H,16H2,1-2H3,(H,30,31,32,33)/b6-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379003
PNG
(2-[2-({2-[1-(4- ethoxy-2,6- difluorobenzyl)- 1H-in...)
Show SMILES CCOc1cc(F)c(Cn2nc(-c3ncc(OCCOCCO)c(Nc4ccncc4)n3)c3ccccc23)c(F)c1
Show InChI InChI=1S/C29H28F2N6O4/c1-2-40-20-15-23(30)22(24(31)16-20)18-37-25-6-4-3-5-21(25)27(36-37)29-33-17-26(41-14-13-39-12-11-38)28(35-29)34-19-7-9-32-10-8-19/h3-10,15-17,38H,2,11-14,18H2,1H3,(H,32,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM379008
PNG
(US10266548, Example 4-3)
Show SMILES NS(=O)(=O)COc1cnc(nc1Nc1ccncc1)-c1nn(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C24H20FN7O3S/c25-19-7-3-1-5-16(19)14-32-20-8-4-2-6-18(20)22(31-32)24-28-13-21(35-15-36(26,33)34)23(30-24)29-17-9-11-27-12-10-17/h1-13H,14-15H2,(H2,26,33,34)(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 7.5n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

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


(Homo sapiens (Human))
BDBM378999
PNG
(2-[1-(2- fluorobenzyl)- 1H-indazol-3-yl]- 5-{[3- (...)
Show SMILES COCc1noc(COc2cnc(nc2Nc2ccncc2)-c2nn(Cc3ccccc3F)c3ccccc23)n1
Show InChI InChI=1S/C28H23FN8O3/c1-38-16-24-33-25(40-36-24)17-39-23-14-31-28(34-27(23)32-19-10-12-30-13-11-19)26-20-7-3-5-9-22(20)37(35-26)15-18-6-2-4-8-21(18)29/h2-14H,15-17H2,1H3,(H,30,31,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.60n/an/an/an/an/an/a



Bayer Intellectual Property GmbH; 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 US10266548 (2019)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 211 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%