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Compile Data Set for Download or QSAR

Found 4275 hits with Last Name = 'klar' and Initial = 'j'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227802
PNG
(US10047096, 65 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C24H24FN5O3/c1-13-8-16(25)19(10-21(13)32)27-18-4-6-26-23-22(18)24(33)29-20-9-14(2-3-17(20)28-23)11-30-7-5-15(31)12-30/h2-4,6,8-10,15,31-32H,5,7,11-12H2,1H3,(H,29,33)(H2,26,27,28)
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n/an/a 0.246n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227931
PNG
(US10047096, 192 | trans-Ethyl 3-[({4-[(2-fluoro-5-...)
Show SMILES CCOC(=O)[C@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17-
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n/an/a 0.274n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227801
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)C[C@H]5CO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O4/c1-13-6-17(26)20(9-22(13)34)28-19-4-5-27-24-23(19)25(35)30-21-7-14(2-3-18(21)29-24)10-31-11-16(33)8-15(31)12-32/h2-7,9,15-16,32-34H,8,10-12H2,1H3,(H,30,35)(H2,27,28,29)/t15-,16+/m0/s1
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n/an/a 0.287n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246227
PNG
(US10183932, Example 135 | US9434690, 132 | US94346...)
Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(H,37,38)
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n/an/a 0.300n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...


US Patent US10183932 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246227
PNG
(US10183932, Example 135 | US9434690, 132 | US94346...)
Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(H,37,38)
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n/an/a 0.300n/an/an/an/a7.425



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246227
PNG
(US10183932, Example 135 | US9434690, 132 | US94346...)
Show SMILES COc1cn(C(CC2CCC(O)CC2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H28ClN3O6/c1-39-26-16-33(27(35)14-24(26)23-13-20(30)7-4-19(23)15-31)25(12-17-2-10-22(34)11-3-17)28(36)32-21-8-5-18(6-9-21)29(37)38/h4-9,13-14,16-17,22,25,34H,2-3,10-12H2,1H3,(H,32,36)(H,37,38)
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n/an/a 0.300n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9822102 (2017)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227926
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CC(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C24H24FN5O3/c1-12-6-16(25)19(10-21(12)32)28-18-4-5-26-23-22(18)24(33)30-20-7-13(2-3-17(20)29-23)11-27-14-8-15(31)9-14/h2-7,10,14-15,27,31-32H,8-9,11H2,1H3,(H,30,33)(H2,26,28,29)
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n/an/a 0.325n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227794
PNG
(US10047096, 57 | rac-1-({4-[(2-Fluoro-5-hydroxy-4-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(C5)C(N)=O)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H27FN6O3/c1-14-9-17(27)20(11-22(14)34)30-19-6-7-29-25-23(19)26(36)32-21-10-15(4-5-18(21)31-25)12-33-8-2-3-16(13-33)24(28)35/h4-7,9-11,16,34H,2-3,8,12-13H2,1H3,(H2,28,35)(H,32,36)(H2,29,30,31)
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n/an/a 0.330n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227785
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(i...)
Show SMILES CC(C)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN5O2/c1-12(2)26-11-14-4-5-16-19(9-14)29-23(31)21-17(6-7-25-22(21)28-16)27-18-10-20(30)13(3)8-15(18)24/h4-10,12,26,30H,11H2,1-3H3,(H,29,31)(H2,25,27,28)
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n/an/a 0.363n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227814
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5CC[C@H](O)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H28FN5O3/c1-14-10-18(27)21(12-23(14)34)30-20-8-9-28-25-24(20)26(35)32-22-11-15(2-7-19(22)31-25)13-29-16-3-5-17(33)6-4-16/h2,7-12,16-17,29,33-34H,3-6,13H2,1H3,(H,32,35)(H2,28,30,31)/t16-,17-
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n/an/a 0.372n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227786
PNG
(8-{[Ethyl(methyl)amino]methyl}-4-[(2-fluoro-5-hydr...)
Show SMILES CCN(C)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN5O2/c1-4-29(3)12-14-5-6-16-19(10-14)28-23(31)21-17(7-8-25-22(21)27-16)26-18-11-20(30)13(2)9-15(18)24/h5-11,30H,4,12H2,1-3H3,(H,28,31)(H2,25,26,27)
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n/an/a 0.388n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227902
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[4...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(CCO)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O3/c1-16-12-19(28)22(14-24(16)35)30-21-4-8-29-26-25(21)27(36)32-23-13-18(2-3-20(23)31-26)15-33-9-5-17(6-10-33)7-11-34/h2-4,8,12-14,17,34-35H,5-7,9-11,15H2,1H3,(H,32,36)(H2,29,30,31)
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n/an/a 0.388n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227799
PNG
(US10047096, 62 | rac-4-[(2-Fluoro-5-hydroxy-4-meth...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(O)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H28FN5O3/c1-15-11-18(27)21(13-23(15)34)29-20-6-8-28-25-24(20)26(35)31-22-12-16(4-5-19(22)30-25)14-32-9-2-3-17(33)7-10-32/h4-6,8,11-13,17,33-34H,2-3,7,9-10,14H2,1H3,(H,31,35)(H2,28,29,30)
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n/an/a 0.394n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227765
PNG
(8-[(Diethylamino)methyl]-4-[(2-fluoro-5-hydroxy-4-...)
Show SMILES CCN(CC)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C24H26FN5O2/c1-4-30(5-2)13-15-6-7-17-20(11-15)29-24(32)22-18(8-9-26-23(22)28-17)27-19-12-21(31)14(3)10-16(19)25/h6-12,31H,4-5,13H2,1-3H3,(H,29,32)(H2,26,27,28)
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n/an/a 0.401n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227906
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C22H22FN5O3/c1-12-8-14(23)17(10-19(12)30)26-16-4-5-25-21-20(16)22(31)28-18-9-13(11-24-6-7-29)2-3-15(18)27-21/h2-5,8-10,24,29-30H,6-7,11H2,1H3,(H,28,31)(H2,25,26,27)
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n/an/a 0.407n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227930
PNG
(US10047096, 191 | cis-Ethyl 3-[({4-[(2-fluoro-5-hy...)
Show SMILES CCOC(=O)[C@@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17+
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n/an/a 0.419n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227816
PNG
(8-{[(1,3-Dihydroxypropan-2-yl)amino]methyl}-4-[(2-...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC(CO)CO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C23H24FN5O4/c1-12-6-15(24)18(8-20(12)32)27-17-4-5-25-22-21(17)23(33)29-19-7-13(2-3-16(19)28-22)9-26-14(10-30)11-31/h2-8,14,26,30-32H,9-11H2,1H3,(H,29,33)(H2,25,27,28)
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n/an/a 0.429n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227796
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(3...)
Show SMILES CC1CCN(Cc2ccc3Nc4nccc(Nc5cc(O)c(C)cc5F)c4C(=O)Nc3c2)CC1O
Show InChI InChI=1S/C26H28FN5O3/c1-14-6-8-32(13-23(14)34)12-16-3-4-18-21(10-16)31-26(35)24-19(5-7-28-25(24)30-18)29-20-11-22(33)15(2)9-17(20)27/h3-5,7,9-11,14,23,33-34H,6,8,12-13H2,1-2H3,(H,31,35)(H2,28,29,30)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227768
PNG
(8-[(Ethylamino)methyl]-4-[(2-fluoro-5-hydroxy-4-me...)
Show SMILES CCNCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C22H22FN5O2/c1-3-24-11-13-4-5-15-18(9-13)28-22(30)20-16(6-7-25-21(20)27-15)26-17-10-19(29)12(2)8-14(17)23/h4-10,24,29H,3,11H2,1-2H3,(H,28,30)(H2,25,26,27)
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n/an/a 0.448n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227812
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({[...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCc5ccncc5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H25FN6O2/c1-16-12-19(28)22(14-24(16)35)32-21-7-11-31-26-25(21)27(36)34-23-13-18(2-3-20(23)33-26)15-30-10-6-17-4-8-29-9-5-17/h2-5,7-9,11-14,30,35H,6,10,15H2,1H3,(H,34,36)(H2,31,32,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227771
PNG
(8-[(Cyclopentylamino)methyl]-4-[(2-fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CCCC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O2/c1-14-10-17(26)20(12-22(14)32)29-19-8-9-27-24-23(19)25(33)31-21-11-15(6-7-18(21)30-24)13-28-16-4-2-3-5-16/h6-12,16,28,32H,2-5,13H2,1H3,(H,31,33)(H2,27,29,30)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227792
PNG
(8-{[Ethyl(2-methoxyethyl)amino]methyl}-4-[(2-fluor...)
Show SMILES CCN(CCOC)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C25H28FN5O3/c1-4-31(9-10-34-3)14-16-5-6-18-21(12-16)30-25(33)23-19(7-8-27-24(23)29-18)28-20-13-22(32)15(2)11-17(20)26/h5-8,11-13,32H,4,9-10,14H2,1-3H3,(H,30,33)(H2,27,28,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM227812
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({[...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCc5ccncc5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H25FN6O2/c1-16-12-19(28)22(14-24(16)35)32-21-7-11-31-26-25(21)27(36)34-23-13-18(2-3-20(23)33-26)15-30-10-6-17-4-8-29-9-5-17/h2-5,7-9,11-14,30,35H,6,10,15H2,1H3,(H,34,36)(H2,31,32,33)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM227786
PNG
(8-{[Ethyl(methyl)amino]methyl}-4-[(2-fluoro-5-hydr...)
Show SMILES CCN(C)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C23H24FN5O2/c1-4-29(3)12-14-5-6-16-19(10-14)28-23(31)21-17(7-8-25-22(21)27-16)26-18-11-20(30)13(2)9-15(18)24/h5-11,30H,4,12H2,1-3H3,(H,28,31)(H2,25,26,27)
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n/an/a 0.487n/an/an/an/a7.522



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227807
PNG
(US10047096, 69 | US10047096, 70 | US10047096, 71 |...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O3/c1-14-9-17(26)20(11-22(14)33)28-19-6-7-27-24-23(19)25(34)30-21-10-15(4-5-18(21)29-24)12-31-8-2-3-16(32)13-31/h4-7,9-11,16,32-33H,2-3,8,12-13H2,1H3,(H,30,34)(H2,27,28,29)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227782
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(4...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O3/c1-14-10-17(26)20(12-22(14)33)28-19-4-7-27-24-23(19)25(34)30-21-11-15(2-3-18(21)29-24)13-31-8-5-16(32)6-9-31/h2-4,7,10-12,16,32-33H,5-6,8-9,13H2,1H3,(H,30,34)(H2,27,28,29)
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n/an/a 0.498n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246196
PNG
(US10183932, Example 105 | US9434690, 101 | US94346...)
Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(H,31,34)(H,35,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246196
PNG
(US10183932, Example 105 | US9434690, 101 | US94346...)
Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(H,31,34)(H,35,36)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9822102 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246196
PNG
(US10183932, Example 105 | US9434690, 101 | US94346...)
Show SMILES COc1cn(C(CC2CCCCO2)C(=O)Nc2ccc(cc2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C28H26ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,14,16,21,24H,2-4,11,13H2,1H3,(H,31,34)(H,35,36)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...


US Patent US10183932 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM341292
PNG
(6-({2-[4-(5-Chloro-2-cyanophenyl)-5-methoxy-2-oxop...)
Show SMILES COc1cn(C(C[C@@H]2CCCCO2)C(=O)Nc2ccc3nc(cn3c2)C(O)=O)c(=O)cc1-c1cc(Cl)ccc1C#N
Show InChI InChI=1S/C29H26ClN5O6/c1-40-25-16-35(27(36)12-22(25)21-10-18(30)6-5-17(21)13-31)24(11-20-4-2-3-9-41-20)28(37)32-19-7-8-26-33-23(29(38)39)15-34(26)14-19/h5-8,10,12,14-16,20,24H,2-4,9,11H2,1H3,(H,32,37)(H,38,39)/t20-,24?/m0/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9765070 (2017)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227925
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-(13...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNCCOCCOCCOCCOCO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C29H36FN5O7/c1-19-14-21(30)24(16-26(19)37)33-23-4-5-32-28-27(23)29(38)35-25-15-20(2-3-22(25)34-28)17-31-6-7-39-8-9-40-10-11-41-12-13-42-18-36/h2-5,14-16,31,36-37H,6-13,17-18H2,1H3,(H,35,38)(H2,32,33,34)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227929
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES CC(C)OC1CC(C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C27H30FN5O3/c1-14(2)36-18-10-17(11-18)30-13-16-4-5-20-23(9-16)33-27(35)25-21(6-7-29-26(25)32-20)31-22-12-24(34)15(3)8-19(22)28/h4-9,12,14,17-18,30,34H,10-11,13H2,1-3H3,(H,33,35)(H2,29,31,32)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227830
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-({3...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC(O)C(C5)NCCO)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C26H29FN6O4/c1-14-8-16(27)19(10-22(14)35)30-18-4-5-29-25-24(18)26(37)32-20-9-15(2-3-17(20)31-25)11-33-12-21(23(36)13-33)28-6-7-34/h2-5,8-10,21,23,28,34-36H,6-7,11-13H2,1H3,(H,32,37)(H2,29,30,31)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227790
PNG
(8-{[Butyl(ethyl)amino]methyl}-4-[(2-fluoro-5-hydro...)
Show SMILES CCCCN(CC)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C26H30FN5O2/c1-4-6-11-32(5-2)15-17-7-8-19-22(13-17)31-26(34)24-20(9-10-28-25(24)30-19)29-21-14-23(33)16(3)12-18(21)27/h7-10,12-14,33H,4-6,11,15H2,1-3H3,(H,31,34)(H2,28,29,30)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227795
PNG
(BDBM227897 | US10047096, 58 | rac-4-[(2-Fluoro-5-h...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(CCO)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O3/c1-16-11-19(28)22(13-24(16)35)30-21-6-8-29-26-25(21)27(36)32-23-12-18(4-5-20(23)31-26)15-33-9-2-3-17(14-33)7-10-34/h4-6,8,11-13,17,34-35H,2-3,7,9-10,14-15H2,1H3,(H,32,36)(H2,29,30,31)
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US Patent
n/an/a 0.548n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227934
PNG
(US10047096, 195 | trans-3-[({4-[(2-Fluoro-5-hydrox...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN[C@H]5C[C@@H](C5)C(O)=O)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H24FN5O4/c1-12-6-16(26)19(10-21(12)32)29-18-4-5-27-23-22(18)24(33)31-20-7-13(2-3-17(20)30-23)11-28-15-8-14(9-15)25(34)35/h2-7,10,14-15,28,32H,8-9,11H2,1H3,(H,31,33)(H,34,35)(H2,27,29,30)/t14-,15-
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n/an/a 0.573n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227949
PNG
(8-{[(3,4-cis-Dihydroxypyrrolidin-1-yl]methyl}-4-[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5C[C@H](O)[C@H](O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C24H24FN5O4/c1-12-6-14(25)17(8-19(12)31)27-16-4-5-26-23-22(16)24(34)29-18-7-13(2-3-15(18)28-23)9-30-10-20(32)21(33)11-30/h2-8,20-21,31-33H,9-11H2,1H3,(H,29,34)(H2,26,27,28)/t20-,21+
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n/an/a 0.578n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227783
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-[(4...)
Show SMILES CN1CCN(Cc2ccc3Nc4nccc(Nc5cc(O)c(C)cc5F)c4C(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H27FN6O2/c1-15-11-17(26)20(13-22(15)33)28-19-5-6-27-24-23(19)25(34)30-21-12-16(3-4-18(21)29-24)14-32-9-7-31(2)8-10-32/h3-6,11-13,33H,7-10,14H2,1-2H3,(H,30,34)(H2,27,28,29)
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n/an/a 0.580n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227789
PNG
(8-{[Ethyl(2-hydroxyethyl)amino]methyl}-4-[(2-fluor...)
Show SMILES CCN(CCO)Cc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C24H26FN5O3/c1-3-30(8-9-31)13-15-4-5-17-20(11-15)29-24(33)22-18(6-7-26-23(22)28-17)27-19-12-21(32)14(2)10-16(19)25/h4-7,10-12,31-32H,3,8-9,13H2,1-2H3,(H,29,33)(H2,26,27,28)
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n/an/a 0.582n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227793
PNG
(8-[(4,4-Dimethylpiperidin-1-yl)methyl]-4-[(2-fluor...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(C)(C)CC5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C27H30FN5O2/c1-16-12-18(28)21(14-23(16)34)30-20-6-9-29-25-24(20)26(35)32-22-13-17(4-5-19(22)31-25)15-33-10-7-27(2,3)8-11-33/h4-6,9,12-14,34H,7-8,10-11,15H2,1-3H3,(H,32,35)(H2,29,30,31)
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n/an/a 0.595n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246220
PNG
(US10183932, Example 144 | US9434690, 125 | US94346...)
Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC
Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine the factor XIa inhibition of the substances according to the invention, a biochemical test system is used which utilizes the reaction of...


US Patent US10183932 (2019)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246220
PNG
(US10183932, Example 144 | US9434690, 125 | US94346...)
Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC
Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(H,34,35)
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n/an/a 0.600n/an/an/an/a7.425



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9434690 (2016)


BindingDB Entry DOI: 10.7270/Q2K936FF
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM246220
PNG
(US10183932, Example 144 | US9434690, 125 | US94346...)
Show SMILES CCC(CC(C(=O)Nc1ccc(cc1)C(O)=O)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1C#N)OC
Show InChI InChI=1S/C27H26ClN3O6/c1-4-20(36-2)12-23(26(33)30-19-9-6-16(7-10-19)27(34)35)31-15-24(37-3)22(13-25(31)32)21-11-18(28)8-5-17(21)14-29/h5-11,13,15,20,23H,4,12H2,1-3H3,(H,30,33)(H,34,35)
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n/an/a 0.600n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Test substances are dissolved in dimethyl sulphoxide and serially diluted in dimethyl sulphoxide (3000 μM to 0.0078 μM; resulting final con...


US Patent US9822102 (2017)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227947
PNG
(4-[(2-Fluoro-5-hydroxy-4-methylphenyl)amino]-8-{[(...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CC[C@@H](O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C24H24FN5O3/c1-13-8-16(25)19(10-21(13)32)27-18-4-6-26-23-22(18)24(33)29-20-9-14(2-3-17(20)28-23)11-30-7-5-15(31)12-30/h2-4,6,8-10,15,31-32H,5,7,11-12H2,1H3,(H,29,33)(H2,26,27,28)/t15-/m1/s1
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n/an/a 0.601n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227826
PNG
(8-(Aminomethyl)-4-[(2-fluoro-5-hydroxy-4-methylphe...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C20H18FN5O2/c1-10-6-12(21)15(8-17(10)27)24-14-4-5-23-19-18(14)20(28)26-16-7-11(9-22)2-3-13(16)25-19/h2-8,27H,9,22H2,1H3,(H,26,28)(H2,23,24,25)
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n/an/a 0.613n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227909
PNG
(US10047096, 170 | US10047096, 171 | US10047096, 21...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCC(O)C(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O4/c1-13-8-15(26)18(10-21(13)33)28-17-4-6-27-24-23(17)25(35)30-19-9-14(2-3-16(19)29-24)11-31-7-5-20(32)22(34)12-31/h2-4,6,8-10,20,22,32-34H,5,7,11-12H2,1H3,(H,30,35)(H2,27,28,29)
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n/an/a 0.618n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM227930
PNG
(US10047096, 191 | cis-Ethyl 3-[({4-[(2-fluoro-5-hy...)
Show SMILES CCOC(=O)[C@@H]1C[C@@H](C1)NCc1ccc2Nc3nccc(Nc4cc(O)c(C)cc4F)c3C(=O)Nc2c1
Show InChI InChI=1S/C27H28FN5O4/c1-3-37-27(36)16-10-17(11-16)30-13-15-4-5-19-22(9-15)33-26(35)24-20(6-7-29-25(24)32-19)31-21-12-23(34)14(2)8-18(21)28/h4-9,12,16-17,30,34H,3,10-11,13H2,1-2H3,(H,33,35)(H2,29,31,32)/t16-,17+
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n/an/a 0.626n/an/an/an/a7.522



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human PDGFRβ (amino acids R561-L1106), expr...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227807
PNG
(US10047096, 69 | US10047096, 70 | US10047096, 71 |...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O3/c1-14-9-17(26)20(11-22(14)33)28-19-6-7-27-24-23(19)25(34)30-21-10-15(4-5-18(21)29-24)12-31-8-2-3-16(32)13-31/h4-7,9-11,16,32-33H,2-3,8,12-13H2,1H3,(H,30,34)(H2,27,28,29)
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n/an/a 0.647n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227807
PNG
(US10047096, 69 | US10047096, 70 | US10047096, 71 |...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CN5CCCC(O)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C25H26FN5O3/c1-14-9-17(26)20(11-22(14)33)28-19-6-7-27-24-23(19)25(34)30-21-10-15(4-5-18(21)29-24)12-31-8-2-3-16(32)13-31/h4-7,9-11,16,32-33H,2-3,8,12-13H2,1H3,(H,30,34)(H2,27,28,29)
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n/an/a 0.670n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM227928
PNG
(8-{[(3,3-Difluorocyclobutyl)amino]methyl}-4-[(2-fl...)
Show SMILES Cc1cc(F)c(Nc2ccnc3Nc4ccc(CNC5CC(F)(F)C5)cc4NC(=O)c23)cc1O
Show InChI InChI=1S/C24H22F3N5O2/c1-12-6-15(25)18(8-20(12)33)30-17-4-5-28-22-21(17)23(34)32-19-7-13(2-3-16(19)31-22)11-29-14-9-24(26,27)10-14/h2-8,14,29,33H,9-11H2,1H3,(H,32,34)(H2,28,30,31)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The kinase used was a recombinant fusion protein composed of N-terminal GST and a C-terminal fragment of human KDR (amino acids D807-V1356), expresse...


US Patent US10047096 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VW4
More data for this
Ligand-Target Pair
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