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Compile Data Set for Download or QSAR

Found 1379 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase receptor TIE-2'   
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50421257
PNG
(CHEMBL2087875)
Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C28H31N5OS2/c1-2-6-20(7-3-1)24-25-27(29-18-23-35-16-17-36-23)30-19-31-28(25)32-26(24)21-8-10-22(11-9-21)34-15-14-33-12-4-5-13-33/h1-3,6-11,19,23H,4-5,12-18H2,(H2,29,30,31,32)
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200n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 22: 6212-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.020
BindingDB Entry DOI: 10.7270/Q2VH5Q4X
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50355491
PNG
(CHEMBL1835870)
Show SMILES Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C23H29N7O/c24-22-27-23(28-30(22)21-3-1-2-12-25-21)26-19-8-4-17(5-9-19)18-6-10-20(11-7-18)29-13-15-31-16-14-29/h1-5,8-9,12,18,20H,6-7,10-11,13-16H2,(H3,24,26,27,28)/t18-,20-
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200n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 55: 725-34 (2012)


Article DOI: 10.1021/jm201198w
BindingDB Entry DOI: 10.7270/Q2GQ6Z6R
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of TIE2


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
BindingDB Entry DOI: 10.7270/Q2KH0NPW
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50245852
PNG
(CHEMBL458333 | N3-(2,6-dimethylphenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
Show InChI InChI=1S/C31H41N7O2/c1-22-9-8-10-23(2)27(22)34-28-26-21-32-30(35-29(26)38(36-28)18-15-31(3,4)39-5)33-24-11-13-25(14-12-24)40-20-19-37-16-6-7-17-37/h8-14,21H,6-7,15-20H2,1-5H3,(H,34,36)(H,32,33,35)
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1.16E+3n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
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))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
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))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
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))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50245853
PNG
(CHEMBL502156 | N3-(2,6-dimethylphenyl)-N6-(3-fluor...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12
Show InChI InChI=1S/C31H40FN7O2/c1-21-9-8-10-22(2)27(21)35-28-24-20-33-30(36-29(24)39(37-28)16-13-31(3,4)40-5)34-23-11-12-26(25(32)19-23)41-18-17-38-14-6-7-15-38/h8-12,19-20H,6-7,13-18H2,1-5H3,(H,35,37)(H,33,34,36)
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>2.50E+3n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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3.60E+3n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50245904
PNG
(CHEMBL459044 | N-(2,6-dimethylphenyl)-4-(2-ethoxyp...)
Show SMILES CCOc1ccccc1Oc1nc(Nc2ccc(cc2)N2CCNCC2)ncc1C(=O)Nc1c(C)cccc1C
Show InChI InChI=1S/C31H34N6O3/c1-4-39-26-10-5-6-11-27(26)40-30-25(29(38)35-28-21(2)8-7-9-22(28)3)20-33-31(36-30)34-23-12-14-24(15-13-23)37-18-16-32-17-19-37/h5-15,20,32H,4,16-19H2,1-3H3,(H,35,38)(H,33,34,36)
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>8.30E+3n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Tie2 (unknown origin)


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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>1.00E+4n/an/an/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 103: 3153-8 (2006)


Article DOI: 10.1073/pnas.0511292103
BindingDB Entry DOI: 10.7270/Q21Z430B
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50297455
PNG
(1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3...)
Show SMILES Cc1ccc2C(N=O)C(=O)N(Cc3cc(F)cc4COCOc34)c2c1
Show InChI InChI=1S/C18H15FN2O4/c1-10-2-3-14-15(4-10)21(18(22)16(14)20-23)7-11-5-13(19)6-12-8-24-9-25-17(11)12/h2-6,16H,7-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Tie2


Bioorg Med Chem Lett 19: 2891-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.043
BindingDB Entry DOI: 10.7270/Q2F76CMZ
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human TIE2


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230178
PNG
(CHEMBL4087541)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C22H17N5O2S/c23-21-24-11-15-2-1-14(9-18(15)27-21)13-3-5-16(6-4-13)25-22(30)26-17-7-8-19-20(10-17)29-12-28-19/h1-11H,12H2,(H2,23,24,27)(H2,25,26,30)
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n/an/a 0.130n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50230179
PNG
(CHEMBL4103584)
Show SMILES Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C23H15F6N5S/c24-22(25,26)15-8-16(23(27,28)29)10-18(9-15)33-21(35)32-17-5-3-12(4-6-17)13-1-2-14-11-31-20(30)34-19(14)7-13/h1-11H,(H2,30,31,34)(H2,32,33,35)
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n/an/a 0.160n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin) after 60 mins by ADP-Glo assay


Eur J Med Chem 127: 275-285 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.059
BindingDB Entry DOI: 10.7270/Q2XW4N27
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239621
PNG
(US9394309, 147 | US9394309, 74)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)C#N)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C26H19F5N6OS/c1-16-8-17(2)24(36-6-7-37-25(36)13-23(35-37)19-4-3-5-33-15-19)12-22(16)34-26(38)20-9-18(14-32)10-21(11-20)39(27,28,29,30)31/h3-13,15H,1-2H3,(H,34,38)
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US Patent
n/an/a 0.200n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
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))
BDBM50507550
PNG
(CHEMBL4449700)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H20N4O/c1-16-3-7-19(8-4-16)21-15-26(25-24-21)14-17-5-9-18(10-6-17)20-11-12-22(27-2)23-13-20/h3-13,15H,14H2,1-2H3
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n/an/a 0.260n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay


Eur J Med Chem 163: 1-9 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.042
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))
BDBM50507542
PNG
(CHEMBL4447552)
Show SMILES Clc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
Show InChI InChI=1S/C20H15ClN4/c21-19-5-1-3-17(11-19)20-14-25(24-23-20)13-15-6-8-16(9-7-15)18-4-2-10-22-12-18/h1-12,14H,13H2
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay


Eur J Med Chem 163: 1-9 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.042
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239596
PNG
(US9394309, 49)
Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)C(C)(C)O)C(C)(C)C)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C31H33N5O2/c1-20-9-10-25(33-29(37)22-14-23(30(2,3)4)16-24(15-22)31(5,6)38)17-27(20)35-12-13-36-28(35)18-26(34-36)21-8-7-11-32-19-21/h7-19,38H,1-6H3,(H,33,37)
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n/an/a 0.300n/an/an/an/a7.022



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US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239620
PNG
(US9394309, 73)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cccc(c1)S(F)(F)(F)(F)F)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C25H20F5N5OS/c1-16-11-17(2)23(34-9-10-35-24(34)14-22(33-35)19-6-4-8-31-15-19)13-21(16)32-25(36)18-5-3-7-20(12-18)37(26,27,28,29)30/h3-15H,1-2H3,(H,32,36)
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US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239548
PNG
(US9394309, 1)
Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)S(F)(F)(F)(F)F)N2CCNCC2)cc1-n1ccn2nc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C26H25F5N8OS/c1-17-2-3-20(12-24(17)38-8-9-39-25(38)14-23(36-39)19-15-33-34-16-19)35-26(40)18-10-21(37-6-4-32-5-7-37)13-22(11-18)41(27,28,29,30)31/h2-3,8-16,32H,4-7H2,1H3,(H,33,34)(H,35,40)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
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))
BDBM50507536
PNG
(CHEMBL4528844)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H17F3N4O/c1-30-21-11-8-18(12-26-21)16-4-2-15(3-5-16)13-29-14-20(27-28-29)17-6-9-19(10-7-17)22(23,24)25/h2-12,14H,13H2,1H3
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay


Eur J Med Chem 163: 1-9 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.042
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239708
PNG
(US9394309, 166)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)C#N)-n1ccn2nc(cc12)-c1cncnc1
Show InChI InChI=1S/C25H18F5N7OS/c1-15-5-16(2)23(36-3-4-37-24(36)10-22(35-37)19-12-32-14-33-13-19)9-21(15)34-25(38)18-6-17(11-31)7-20(8-18)39(26,27,28,29)30/h3-10,12-14H,1-2H3,(H,34,38)
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n/an/a 0.300n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239712
PNG
(US9394309, 171)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)C#N)-n1ccn2nc(cc12)-c1cccnn1
Show InChI InChI=1S/C25H18F5N7OS/c1-15-8-16(2)23(36-6-7-37-24(36)13-22(35-37)20-4-3-5-32-34-20)12-21(15)33-25(38)18-9-17(14-31)10-19(11-18)39(26,27,28,29)30/h3-13H,1-2H3,(H,33,38)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239658
PNG
(US9394309, 114)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)C(C)(C)C)C#N)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C30H28N6O/c1-19-11-20(2)27(35-9-10-36-28(35)16-26(34-36)22-7-6-8-32-18-22)15-25(19)33-29(37)23-12-21(17-31)13-24(14-23)30(3,4)5/h6-16,18H,1-5H3,(H,33,37)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239696
PNG
(US9394309, 153)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(CC(N)=O)cc(c1)S(F)(F)(F)(F)F)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H23F5N6O2S/c1-16-8-17(2)24(37-6-7-38-26(37)14-23(36-38)19-4-3-5-34-15-19)13-22(16)35-27(40)20-9-18(11-25(33)39)10-21(12-20)41(28,29,30,31)32/h3-10,12-15H,11H2,1-2H3,(H2,33,39)(H,35,40)
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n/an/a 0.300n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239557
PNG
(US9394309, 10)
Show SMILES Cc1cn(-c2cc(NC(=O)c3cc(cc(c3)S(F)(F)(F)(F)F)N3CCNCC3)ccc2C)c2cc(nn12)-c1cn[nH]c1
Show InChI InChI=1S/C27H27F5N8OS/c1-17-3-4-21(11-25(17)39-16-18(2)40-26(39)13-24(37-40)20-14-34-35-15-20)36-27(41)19-9-22(38-7-5-33-6-8-38)12-23(10-19)42(28,29,30,31)32/h3-4,9-16,33H,5-8H2,1-2H3,(H,34,35)(H,36,41)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239558
PNG
(US9394309, 11)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1ccc(C)c(c1)-n1cc(C)n2nc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C28H29F5N8OS/c1-18-4-5-22(12-26(18)40-17-19(2)41-27(40)14-25(37-41)21-15-34-35-16-21)36-28(42)20-10-23(39-8-6-38(3)7-9-39)13-24(11-20)43(29,30,31,32)33/h4-5,10-17H,6-9H2,1-3H3,(H,34,35)(H,36,42)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239564
PNG
(US9394309, 17)
Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)S(F)(F)(F)(F)F)N2CCNCC2)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C28H26F5N7OS/c1-19-4-5-22(15-26(19)39-11-12-40-27(39)17-25(37-40)20-3-2-6-35-18-20)36-28(41)21-13-23(38-9-7-34-8-10-38)16-24(14-21)42(29,30,31,32)33/h2-6,11-18,34H,7-10H2,1H3,(H,36,41)
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n/an/a 0.300n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239570
PNG
(US9394309, 23)
Show SMILES Cc1ccc(NC(=O)c2cc(OCCCN)cc(c2)S(F)(F)(F)(F)F)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H25F5N6O2S/c1-18-5-6-21(14-25(18)37-9-10-38-26(37)16-24(36-38)19-4-2-8-34-17-19)35-27(39)20-12-22(40-11-3-7-33)15-23(13-20)41(28,29,30,31)32/h2,4-6,8-10,12-17H,3,7,11,33H2,1H3,(H,35,39)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239583
PNG
(US9394309, 36)
Show SMILES CN1CCN(Cc2cc(cc(c2)S(F)(F)(F)(F)F)C(=O)Nc2ccc(C)c(c2)-n2ccn3nc(cc23)-c2cccnc2)CC1
Show InChI InChI=1S/C30H30F5N7OS/c1-21-5-6-25(17-28(21)41-12-13-42-29(41)18-27(38-42)23-4-3-7-36-19-23)37-30(43)24-14-22(20-40-10-8-39(2)9-11-40)15-26(16-24)44(31,32,33,34)35/h3-7,12-19H,8-11,20H2,1-2H3,(H,37,43)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239594
PNG
(US9394309, 47)
Show SMILES Cc1nccn1-c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ccc(C)c(c1)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C32H31N7O/c1-21-8-9-26(18-29(21)38-13-14-39-30(38)19-28(36-39)23-7-6-10-33-20-23)35-31(40)24-15-25(32(3,4)5)17-27(16-24)37-12-11-34-22(37)2/h6-20H,1-5H3,(H,35,40)
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239595
PNG
(US9394309, 48)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(C)(C)C)C(=O)Nc1ccc(C)c(c1)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C33H37N7O/c1-23-8-9-27(20-30(23)39-15-16-40-31(39)21-29(36-40)24-7-6-10-34-22-24)35-32(41)25-17-26(33(2,3)4)19-28(18-25)38-13-11-37(5)12-14-38/h6-10,15-22H,11-14H2,1-5H3,(H,35,41)
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n/an/a 0.300n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
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))
BDBM50507538
PNG
(CHEMBL4452256)
Show SMILES COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C21H17ClN4O/c1-27-21-10-9-18(12-23-21)16-7-5-15(6-8-16)13-26-14-20(24-25-26)17-3-2-4-19(22)11-17/h2-12,14H,13H2,1H3
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay


Eur J Med Chem 163: 1-9 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.042
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))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay


Eur J Med Chem 163: 1-9 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.042
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))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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The First Affiliated Hospital of Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay


Eur J Med Chem 164: 440-447 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.067
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239691
PNG
(US9394309, 148)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)C(C)(C)O)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C28H26F5N5O2S/c1-17-10-18(2)25(37-8-9-38-26(37)15-24(36-38)19-6-5-7-34-16-19)14-23(17)35-27(39)20-11-21(28(3,4)40)13-22(12-20)41(29,30,31,32)33/h5-16,40H,1-4H3,(H,35,39)
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n/an/a 0.400n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239579
PNG
(US9394309, 32)
Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)S(F)(F)(F)(F)F)C(C)(C)O)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H24F5N5O2S/c1-17-6-7-21(14-24(17)36-9-10-37-25(36)15-23(35-37)18-5-4-8-33-16-18)34-26(38)19-11-20(27(2,3)39)13-22(12-19)40(28,29,30,31)32/h4-16,39H,1-3H3,(H,34,38)
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n/an/a 0.400n/an/an/an/a7.022



Bayer Pharma Aktiengesellschaft

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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239561
PNG
(US9394309, 14)
Show SMILES Cc1cn(-c2cc(NC(=O)c3cc(cc(c3)C(F)(F)F)-n3ccnc3C)ccc2C)c2cc(nn12)-c1cn[nH]c1
Show InChI InChI=1S/C28H23F3N8O/c1-16-4-5-22(11-25(16)38-15-17(2)39-26(38)12-24(36-39)20-13-33-34-14-20)35-27(40)19-8-21(28(29,30)31)10-23(9-19)37-7-6-32-18(37)3/h4-15H,1-3H3,(H,33,34)(H,35,40)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239695
PNG
(US9394309, 152)
Show SMILES COC(=O)Cc1cc(cc(c1)S(F)(F)(F)(F)F)C(=O)Nc1cc(c(C)cc1C)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C28H24F5N5O3S/c1-17-9-18(2)25(37-7-8-38-26(37)15-24(36-38)20-5-4-6-34-16-20)14-23(17)35-28(40)21-10-19(12-27(39)41-3)11-22(13-21)42(29,30,31,32)33/h4-11,13-16H,12H2,1-3H3,(H,35,40)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239661
PNG
(US9394309, 118)
Show SMILES Cc1cc(F)c(NC(=O)c2cc(cc(c2)C(C)(C)C)C#N)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H25FN6O/c1-18-10-23(30)25(33-28(37)21-11-19(16-31)12-22(13-21)29(2,3)4)14-26(18)35-8-9-36-27(35)15-24(34-36)20-6-5-7-32-17-20/h5-15,17H,1-4H3,(H,33,37)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239584
PNG
(US9394309, 37)
Show SMILES Cc1ccc(NC(=O)c2cc(cc(c2)S(F)(F)(F)(F)F)C2(O)CNC2)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C27H23F5N6O2S/c1-17-4-5-21(12-24(17)37-7-8-38-25(37)13-23(36-38)18-3-2-6-33-14-18)35-26(39)19-9-20(27(40)15-34-16-27)11-22(10-19)41(28,29,30,31)32/h2-14,34,40H,15-16H2,1H3,(H,35,39)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239706
PNG
(US9394309, 164)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cccc(c1)S(F)(F)(F)(F)F)-n1ccn2nc(cc12)-c1cncnc1
Show InChI InChI=1S/C24H19F5N6OS/c1-15-8-16(2)22(34-6-7-35-23(34)11-21(33-35)18-12-30-14-31-13-18)10-20(15)32-24(36)17-4-3-5-19(9-17)37(25,26,27,28)29/h3-14H,1-2H3,(H,32,36)
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Bayer Pharma Aktiengesellschaft

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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239697
PNG
(US9394309, 154)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(CC(C)(C)O)cc(c1)S(F)(F)(F)(F)F)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H28F5N5O2S/c1-18-10-19(2)26(38-8-9-39-27(38)15-25(37-39)21-6-5-7-35-17-21)14-24(18)36-28(40)22-11-20(16-29(3,4)41)12-23(13-22)42(30,31,32,33)34/h5-15,17,41H,16H2,1-4H3,(H,36,40)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
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))
BDBM50507535
PNG
(CHEMBL4570075)
Show SMILES Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
Show InChI InChI=1S/C21H18N4/c1-16-4-2-5-19(12-16)21-15-25(24-23-21)14-17-7-9-18(10-8-17)20-6-3-11-22-13-20/h2-13,15H,14H2,1H3
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n/an/a 0.450n/an/an/an/an/an/a



Xi'an Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based luminescent assay


Eur J Med Chem 163: 1-9 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.042
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239700
PNG
(US9394309, 157)
Show SMILES Cc1cc(Cl)c(cc1NC(=O)c1cccc(c1)S(F)(F)(F)(F)F)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C24H17ClF5N5OS/c1-15-10-19(25)22(34-8-9-35-23(34)13-21(33-35)17-5-3-7-31-14-17)12-20(15)32-24(36)16-4-2-6-18(11-16)37(26,27,28,29)30/h2-14H,1H3,(H,32,36)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239622
PNG
(US9394309, 75)
Show SMILES Cc1cc(F)c(NC(=O)c2cc(cc(c2)S(F)(F)(F)(F)F)C#N)cc1-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C25H16F6N6OS/c1-15-7-20(26)22(34-25(38)18-8-16(13-32)9-19(10-18)39(27,28,29,30)31)11-23(15)36-5-6-37-24(36)12-21(35-37)17-3-2-4-33-14-17/h2-12,14H,1H3,(H,34,38)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239587
PNG
(US9394309, 40)
Show SMILES Cc1nccn1-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C29H22F3N7O/c1-18-5-6-23(15-26(18)38-10-11-39-27(38)16-25(36-39)20-4-3-7-33-17-20)35-28(40)21-12-22(29(30,31)32)14-24(13-21)37-9-8-34-19(37)2/h3-17H,1-2H3,(H,35,40)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TIE-2


(Homo sapiens (Human))
BDBM239621
PNG
(US9394309, 147 | US9394309, 74)
Show SMILES Cc1cc(C)c(cc1NC(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)C#N)-n1ccn2nc(cc12)-c1cccnc1
Show InChI InChI=1S/C26H19F5N6OS/c1-16-8-17(2)24(36-6-7-37-25(36)13-23(35-37)19-4-3-5-33-15-19)12-22(16)34-26(38)20-9-18(14-32)10-21(11-20)39(27,28,29,30)31/h3-13,15H,1-2H3,(H,34,38)
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Assay Description
For the assay, 50 nl of a 100-fold concentrated solution of the respective test substance in DMSO were pipetted into a black low-volume 384-well micr...


US Patent US9394309 (2016)


BindingDB Entry DOI: 10.7270/Q2C53JRC
More data for this
Ligand-Target Pair
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