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Patent code US10428044

Compile Data Set for Download or QSAR

Found 491 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
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415353
PNG
(Preparation of rel-(R,S)-2-fluoro-N-{4-[4′-o...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@H]2C[C@@H]2F)c1
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415359
PNG
(Preparation of 1-tert-butyl-N-{4-[6,6-dimethyl-4-o...)
Show SMILES CC(C)(C)n1cc(cn1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1S/C29H32N6O2/c1-28(2,3)35-17-19(16-31-35)27(37)34-23-13-18(11-12-30-23)25-26(32-20-9-7-6-8-10-20)24-21(33-25)14-29(4,5)15-22(24)36/h6-13,16-17,32-33H,14-15H2,1-5H3,(H,30,34,37)
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n/an/a 5.04n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415330
PNG
(Preparation of 6-(chloromethyl)-3-(phenylamino)-2-...)
Show SMILES ClCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
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n/an/a 5.05n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415366
PNG
(Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...)
Show SMILES COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CC(C)(C)CC(=O)c3c2Nc2ccccc2)cc1
Show InChI InChI=1S/C33H32N6O3/c1-33(2)16-26-29(27(40)17-33)31(36-24-7-5-4-6-8-24)30(37-26)22-13-14-34-28(15-22)38-32(41)23-18-35-39(20-23)19-21-9-11-25(42-3)12-10-21/h4-15,18,20,36-37H,16-17,19H2,1-3H3,(H,34,38,41)
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n/an/a 5.09n/an/an/an/an/an/a



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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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Bayer Pharma Aktiengesellschaft

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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415379
PNG
(Preparation of N-{4-[4-oxo-3-(phenylamino)-4,5,6,7...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)COCc2cccnc2)c1
Show InChI InChI=1S/C29H29N5O3/c1-29(2)14-22-26(23(35)15-29)28(32-21-8-4-3-5-9-21)27(33-22)20-10-12-31-24(13-20)34-25(36)18-37-17-19-7-6-11-30-16-19/h3-13,16,32-33H,14-15,17-18H2,1-2H3,(H,31,34,36)
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n/an/a 5.28n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414932
PNG
(Preparation of 3-[(3,5-difluorophenyl)amino]-6,6-d...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3cc(F)cc(F)c3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C21H19F2N3O/c1-21(2)10-16-18(17(27)11-21)20(19(26-16)12-3-5-24-6-4-12)25-15-8-13(22)7-14(23)9-15/h3-9,25-26H,10-11H2,1-2H3
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n/an/a 5.55n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
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
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n/an/a 5.57n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414931
PNG
(Preparation of 2-(3-fluoropyridin-4-yl)-6,6-dimeth...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1F
Show InChI InChI=1S/C21H20FN3O/c1-21(2)10-16-18(17(26)11-21)20(24-13-6-4-3-5-7-13)19(25-16)14-8-9-23-12-15(14)22/h3-9,12,24-25H,10-11H2,1-2H3
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n/an/a 5.69n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415372
PNG
(Preparation of 3-{[4-fluoro-2-(hydroxymethyl)pheny...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccc(F)cc3CO)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)25-16-4-3-15(23)9-14(16)12-27/h3-9,25-27H,10-12H2,1-2H3
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n/an/a 5.84n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414929
PNG
(Preparation of 6-ethyl-3-(phenylamino)-2-(pyridin-...)
Show SMILES CCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
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n/an/a 5.93n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415391
PNG
(Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...)
Show SMILES Cn1ccc(n1)C(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1S/C26H26N6O2/c1-26(2)14-19-22(20(33)15-26)24(28-17-7-5-4-6-8-17)23(29-19)16-9-11-27-21(13-16)30-25(34)18-10-12-32(3)31-18/h4-13,28-29H,14-15H2,1-3H3,(H,27,30,34)
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n/an/a 6.14n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414930
PNG
(Preparation of 6-(2-methylpropyl)-3-(phenylamino)-...)
Show SMILES CC(C)CC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
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n/an/a 6.17n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415244
PNG
(Preparation of 2-[(1-methyl-1H-pyrazol-5-yl)methox...)
Show SMILES Cn1nccc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Show InChI InChI=1S/C26H26N6O3/c1-32-19(11-13-28-32)15-35-16-23(34)31-22-14-17(10-12-27-22)25-26(29-18-6-3-2-4-7-18)24-20(30-25)8-5-9-21(24)33/h2-4,6-7,10-14,29-30H,5,8-9,15-16H2,1H3,(H,27,31,34)
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n/an/a 6.22n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415337
PNG
(Preparation of 1-(4-methoxybenzyl)-N-{4-[4-oxo-3-(...)
Show SMILES COc1ccc(Cn2cc(cn2)C(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
Show InChI InChI=1S/C31H28N6O3/c1-40-24-12-10-20(11-13-24)18-37-19-22(17-33-37)31(39)36-27-16-21(14-15-32-27)29-30(34-23-6-3-2-4-7-23)28-25(35-29)8-5-9-26(28)38/h2-4,6-7,10-17,19,34-35H,5,8-9,18H2,1H3,(H,32,36,39)
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n/an/a 6.24n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414900
PNG
(6,6-dimethyl-3-(phenylamino)-2-(pyridin-4- yl)-1,5...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
Show InChI InChI=1S/C21H21N3O/c1-21(2)12-16-18(17(25)13-21)20(23-15-6-4-3-5-7-15)19(24-16)14-8-10-22-11-9-14/h3-11,23-24H,12-13H2,1-2H3
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n/an/a 6.25n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415367
PNG
(Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cncs2)c1
Show InChI InChI=1S/C25H23N5O2S/c1-25(2)11-17-21(18(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-27-20(10-15)30-24(32)19-13-26-14-33-19/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,27,30,32)
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n/an/a 6.30n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415152
PNG
(Preparation of (S,R)óN-{4-[6,6-dimethyl-4-oxo-3-(p...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)[C@@H]2C[C@H]2F)c1
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415108
PNG
(Preparation of 2′-(3-fluoropyridin-4-yl)-3&#...)
Show SMILES Fc1cnccc1-c1[nH]c2CC3(CC3)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1S/C21H18FN3O/c22-15-12-23-9-6-14(15)19-20(24-13-4-2-1-3-5-13)18-16(25-19)10-21(7-8-21)11-17(18)26/h1-6,9,12,24-25H,7-8,10-11H2
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n/an/a 6.39n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415301
PNG
(Intermediate 1-2-68 | US10428044, Example 408)
Show SMILES CC1(C)CC(=O)C(C(=S)Nc2ccccc2)=C(C1)NCc1ccncc1OCC(F)F
Show InChI InChI=1S/C23H25F2N3O2S/c1-23(2)10-17(27-12-15-8-9-26-13-19(15)30-14-20(24)25)21(18(29)11-23)22(31)28-16-6-4-3-5-7-16/h3-9,13,20,27H,10-12,14H2,1-2H3,(H,28,31)
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n/an/a 6.42n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415248
PNG
(Preparation of 2-[(5-methyl-1,3-oxazol-2-yl)methox...)
Show SMILES Cc1cnc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)o1
Show InChI InChI=1S/C26H25N5O4/c1-16-13-28-23(35-16)15-34-14-22(33)31-21-12-17(10-11-27-21)25-26(29-18-6-3-2-4-7-18)24-19(30-25)8-5-9-20(24)32/h2-4,6-7,10-13,29-30H,5,8-9,14-15H2,1H3,(H,27,31,33)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415383
PNG
(Preparation of 2-[(4-methyl-1,3-thiazol-5-yl)metho...)
Show SMILES Cc1ncsc1COCC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(C)CC(=O)c2c1Nc1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-17-22(37-16-30-17)14-36-15-24(35)33-23-11-18(9-10-29-23)26-27(31-19-7-5-4-6-8-19)25-20(32-26)12-28(2,3)13-21(25)34/h4-11,16,31-32H,12-15H2,1-3H3,(H,29,33,35)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415243
PNG
(Preparation of 2-[(3-methyl-1,2-oxazol-5-yl)methox...)
Show SMILES Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)on1
Show InChI InChI=1S/C26H25N5O4/c1-16-12-19(35-31-16)14-34-15-23(33)30-22-13-17(10-11-27-22)25-26(28-18-6-3-2-4-7-18)24-20(29-25)8-5-9-21(24)32/h2-4,6-7,10-13,28-29H,5,8-9,14-15H2,1H3,(H,27,30,33)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM414915
PNG
(Preparation of 3′-(phenylamino)-2′-(py...)
Show SMILES O=C1CC2(CCC2)Cc2[nH]c(c(Nc3ccccc3)c12)-c1ccncc1
Show InChI InChI=1S/C22H21N3O/c26-18-14-22(9-4-10-22)13-17-19(18)21(24-16-5-2-1-3-6-16)20(25-17)15-7-11-23-12-8-15/h1-3,5-8,11-12,24-25H,4,9-10,13-14H2
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415247
PNG
(Preparation of 2-[(5-methyl-1,2-oxazol-3-yl)methox...)
Show SMILES Cc1cc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)no1
Show InChI InChI=1S/C26H25N5O4/c1-16-12-19(31-35-16)14-34-15-23(33)30-22-13-17(10-11-27-22)25-26(28-18-6-3-2-4-7-18)24-20(29-25)8-5-9-21(24)32/h2-4,6-7,10-13,28-29H,5,8-9,14-15H2,1H3,(H,27,30,33)
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n/an/a 6.57n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415364
PNG
(Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)C2CC2(F)F)c1
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n/an/a 6.62n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415167
PNG
(Preparation of N-{4-[6,6-dimethyl-4-oxo-3-(phenyla...)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccnc(NC(=O)c2cscn2)c1
Show InChI InChI=1S/C25H23N5O2S/c1-25(2)11-17-21(19(31)12-25)23(28-16-6-4-3-5-7-16)22(29-17)15-8-9-26-20(10-15)30-24(32)18-13-33-14-27-18/h3-10,13-14,28-29H,11-12H2,1-2H3,(H,26,30,32)
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n/an/a 6.63n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415245
PNG
(Preparation of 2-(furan-2-ylmethoxy)-N-{4-[4-oxo-3...)
Show SMILES O=C(COCc1ccco1)Nc1cc(ccn1)-c1[nH]c2CCCC(=O)c2c1Nc1ccccc1
Show InChI InChI=1S/C26H24N4O4/c31-21-10-4-9-20-24(21)26(28-18-6-2-1-3-7-18)25(29-20)17-11-12-27-22(14-17)30-23(32)16-33-15-19-8-5-13-34-19/h1-3,5-8,11-14,28-29H,4,9-10,15-16H2,(H,27,30,32)
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n/an/a 6.68n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415304
PNG
(Intermediate 1-2-70 | US10428044, Example 411)
Show SMILES CC1(C)Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1OCC1CC1
Show InChI InChI=1S/C25H27N3O2/c1-25(2)12-19-22(20(29)13-25)24(27-17-6-4-3-5-7-17)23(28-19)18-10-11-26-14-21(18)30-15-16-8-9-16/h3-7,10-11,14,16,27-28H,8-9,12-13,15H2,1-2H3
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n/an/a 6.86n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415348
PNG
(Preparation of N-{4-[6-(fluoromethyl)-4-oxo-3-(phe...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(CF)CC(=O)c2c1Nc1ccccc1
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n/an/a 6.88n/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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415329
PNG
(Intermediate 1-1-32 | US10428044, Example 442)
Show SMILES FCC1Cc2[nH]c(c(Nc3ccccc3)c2C(=O)C1)-c1ccncc1
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM415235
PNG
(Preparation of 2-[(4-methoxybenzyl)oxy]-N-{4-[4-ox...)
Show SMILES COc1ccc(COCC(=O)Nc2cc(ccn2)-c2[nH]c3CCCC(=O)c3c2Nc2ccccc2)cc1
Show InChI InChI=1S/C29H28N4O4/c1-36-22-12-10-19(11-13-22)17-37-18-26(35)33-25-16-20(14-15-30-25)28-29(31-21-6-3-2-4-7-21)27-23(32-28)8-5-9-24(27)34/h2-4,6-7,10-16,31-32H,5,8-9,17-18H2,1H3,(H,30,33,35)
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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)


BindingDB Entry DOI: 10.7270/Q2QF8W7J
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%