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Compile Data Set for Download or QSAR

Found 822 hits with Last Name = 'keldenich' 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
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223890
PNG
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Show SMILES CC1(C)C2CC[C@@]1(C(=O)C2)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C31H33N3O7S/c1-30(2)20-12-13-31(30,24(35)16-20)42(40,41)34-23(29(38)39)14-17-6-8-18(9-7-17)19-4-3-5-22(15-19)33-26-25(27(36)28(26)37)32-21-10-11-21/h3-9,15,20-21,23,32-34H,10-14,16H2,1-2H3,(H,38,39)/t20?,23-,31-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223891
PNG
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223897
PNG
((S)-3-{3'-[(1H-imidazole-2-carbonyl)-amino]-biphen...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ncc[nH]2)c1)C(O)=O
Show InChI InChI=1S/C28H28N4O5S/c1-17-13-18(2)25(19(3)14-17)38(36,37)32-24(28(34)35)15-20-7-9-21(10-8-20)22-5-4-6-23(16-22)31-27(33)26-29-11-12-30-26/h4-14,16,24,32H,15H2,1-3H3,(H,29,30)(H,31,33)(H,34,35)/t24-/m0/s1
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1n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223888
PNG
((S)-3-[3'-(4,5-dihydro-1H-imidazol-2-ylamino)-biph...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)N=C1NCCN1)C(O)=O
Show InChI InChI=1S/C27H30N4O4S/c1-17-13-18(2)25(19(3)14-17)36(34,35)31-24(26(32)33)15-20-7-9-21(10-8-20)22-5-4-6-23(16-22)30-27-28-11-12-29-27/h4-10,13-14,16,24,31H,11-12,15H2,1-3H3,(H,32,33)(H2,28,29,30)/t24-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50125289
PNG
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O
Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223896
PNG
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C23H23N3O6S/c1-33(31,32)26-18(23(29)30)11-13-5-7-14(8-6-13)15-3-2-4-17(12-15)25-20-19(21(27)22(20)28)24-16-9-10-16/h2-8,12,16,18,24-26H,9-11H2,1H3,(H,29,30)/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223887
PNG
((S)-3-(3'-{3,4-dioxo-2-[(pyridin-2-ylmethyl)-amino...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NCc3ccccn3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C34H32N4O6S/c1-20-15-21(2)33(22(3)16-20)45(43,44)38-28(34(41)42)17-23-10-12-24(13-11-23)25-7-6-9-26(18-25)37-30-29(31(39)32(30)40)36-19-27-8-4-5-14-35-27/h4-16,18,28,36-38H,17,19H2,1-3H3,(H,41,42)/t28-/m0/s1
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11n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50125297
PNG
((S)-3-(3'-Guanidino-biphenyl-4-yl)-2-(2,4,6-trimet...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)N=C(N)N)C(O)=O
Show InChI InChI=1S/C25H28N4O4S/c1-15-11-16(2)23(17(3)12-15)34(32,33)29-22(24(30)31)13-18-7-9-19(10-8-18)20-5-4-6-21(14-20)28-25(26)27/h4-12,14,22,29H,13H2,1-3H3,(H,30,31)(H4,26,27,28)/t22-/m0/s1
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11n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223886
PNG
((S)-3-[3'-(4-cyclopropylamino-1-oxo-1H-1lambda*4*-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2ns(=O)nc2NC2CC2)c1)C(O)=O
Show InChI InChI=1S/C29H31N5O5S2/c1-17-13-18(2)26(19(3)14-17)41(38,39)34-25(29(35)36)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)31-28-27(30-23-11-12-23)32-40(37)33-28/h4-10,13-14,16,23,25,34H,11-12,15H2,1-3H3,(H,30,32)(H,31,33)(H,35,36)/t25-,40?/m0/s1
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18n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223892
PNG
((S)-3-[3'-(2-benzylamino-3,4-dioxo-cyclobut-1-enyl...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C35H33N3O6S/c1-21-16-22(2)34(23(3)17-21)45(43,44)38-29(35(41)42)18-24-12-14-26(15-13-24)27-10-7-11-28(19-27)37-31-30(32(39)33(31)40)36-20-25-8-5-4-6-9-25/h4-17,19,29,36-38H,18,20H2,1-3H3,(H,41,42)/t29-/m0/s1
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25n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223893
PNG
((S)-3-{3'-[(1H-pyrrole-2-carbonyl)-amino]-biphenyl...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccc[nH]2)c1)C(O)=O
Show InChI InChI=1S/C29H29N3O5S/c1-18-14-19(2)27(20(3)15-18)38(36,37)32-26(29(34)35)16-21-9-11-22(12-10-21)23-6-4-7-24(17-23)31-28(33)25-8-5-13-30-25/h4-15,17,26,30,32H,16H2,1-3H3,(H,31,33)(H,34,35)/t26-/m0/s1
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33n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50223891
PNG
((S)-3-[3'-(2-cyclopropylamino-3,4-dioxo-cyclobut-1...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(Nc2c(NC3CC3)c(=O)c2=O)c1)C(O)=O
Show InChI InChI=1S/C31H31N3O6S/c1-17-13-18(2)30(19(3)14-17)41(39,40)34-25(31(37)38)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)33-27-26(28(35)29(27)36)32-23-11-12-23/h4-10,13-14,16,23,25,32-34H,11-12,15H2,1-3H3,(H,37,38)/t25-/m0/s1
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47n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to GP2b3a receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50125289
PNG
((S)-3-[3'-(3-Cyclopropyl-ureido)-biphenyl-4-yl]-2-...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NC2CC2)c1)C(O)=O
Show InChI InChI=1S/C28H31N3O5S/c1-17-13-18(2)26(19(3)14-17)37(35,36)31-25(27(32)33)15-20-7-9-21(10-8-20)22-5-4-6-24(16-22)30-28(34)29-23-11-12-23/h4-10,13-14,16,23,25,31H,11-12,15H2,1-3H3,(H,32,33)(H2,29,30,34)/t25-/m0/s1
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128n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to GP2b3a receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223895
PNG
((S)-3-{3'-[(pyridine-3-carbonyl)-amino]-biphenyl-4...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2cccnc2)c1)C(O)=O
Show InChI InChI=1S/C30H29N3O5S/c1-19-14-20(2)28(21(3)15-19)39(37,38)33-27(30(35)36)16-22-9-11-23(12-10-22)24-6-4-8-26(17-24)32-29(34)25-7-5-13-31-18-25/h4-15,17-18,27,33H,16H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1
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400n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223885
PNG
((S)-3-{3'-[(furan-2-carbonyl)-amino]-biphenyl-4-yl...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccco2)c1)C(O)=O
Show InChI InChI=1S/C29H28N2O6S/c1-18-14-19(2)27(20(3)15-18)38(35,36)31-25(29(33)34)16-21-9-11-22(12-10-21)23-6-4-7-24(17-23)30-28(32)26-8-5-13-37-26/h4-15,17,25,31H,16H2,1-3H3,(H,30,32)(H,33,34)/t25-/m0/s1
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650n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223889
PNG
((S)-3-{3'-[(pyridine-4-carbonyl)-amino]-biphenyl-4...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccncc2)c1)C(O)=O
Show InChI InChI=1S/C30H29N3O5S/c1-19-15-20(2)28(21(3)16-19)39(37,38)33-27(30(35)36)17-22-7-9-23(10-8-22)25-5-4-6-26(18-25)32-29(34)24-11-13-31-14-12-24/h4-16,18,27,33H,17H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1
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700n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50223894
PNG
((S)-3-{3'-[(pyridine-2-carbonyl)-amino]-biphenyl-4...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)c2ccccn2)c1)C(O)=O
Show InChI InChI=1S/C30H29N3O5S/c1-19-15-20(2)28(21(3)16-19)39(37,38)33-27(30(35)36)17-22-10-12-23(13-11-22)24-7-6-8-25(18-24)32-29(34)26-9-4-5-14-31-26/h4-16,18,27,33H,17H2,1-3H3,(H,32,34)(H,35,36)/t27-/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Bayer Healthcare AG

Curated by ChEMBL


Assay Description
Binding affinity to integrin alphavbeta3 receptor


Bioorg Med Chem Lett 17: 6151-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.039
BindingDB Entry DOI: 10.7270/Q2KS6R8S
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))
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)

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)

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)

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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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)

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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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)

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)

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)

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)

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)

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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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)

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)

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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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)

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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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)

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)

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)

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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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)

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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n/an/a 0.459n/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)

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)

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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n/an/a 0.473n/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)

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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n/an/a 0.475n/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)

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)

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 0.496n/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)

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)

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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n/an/a 0.503n/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)

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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n/an/a 0.503n/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)

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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n/an/a 0.522n/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)

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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n/an/a 0.525n/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)

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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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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
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