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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'jones-bolin' and Initial = 's'   
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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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500n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of adenosine A2A receptor


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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2.90E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M4 receptor


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379196
PNG
(CHEMBL2010870)
Show SMILES CC(C)n1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C27H25N7O/c1-14(2)34-21-8-5-15(31-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(35)24(18)22-16(25(23)34)6-7-20-19(22)13-33(3)32-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,35)(H,28,29,31)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TRK-A using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR1 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379195
PNG
(CHEMBL2010869)
Show SMILES CCCn1c2ccc(Nc3ncc(CC)cn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C29H29N7O/c1-4-10-36-23-9-6-17(33-29-31-12-16(5-2)13-32-29)11-19(23)25-20-14-30-28(37)26(20)24-18(27(25)36)7-8-22-21(24)15-35(3)34-22/h6,9,11-13,15H,4-5,7-8,10,14H2,1-3H3,(H,30,37)(H,31,32,33)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TRK-B using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RET using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379193
PNG
(CHEMBL2010871)
Show SMILES CCCn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C27H25N7O/c1-3-11-34-21-8-5-15(31-27-28-9-4-10-29-27)12-17(21)23-18-13-30-26(35)24(18)22-16(25(23)34)6-7-20-19(22)14-33(2)32-20/h4-5,8-10,12,14H,3,6-7,11,13H2,1-2H3,(H,30,35)(H,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BLK


(Mus musculus)
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse BLK using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379195
PNG
(CHEMBL2010869)
Show SMILES CCCn1c2ccc(Nc3ncc(CC)cn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C29H29N7O/c1-4-10-36-23-9-6-17(33-29-31-12-16(5-2)13-32-29)11-19(23)25-20-14-30-28(37)26(20)24-18(27(25)36)7-8-22-21(24)15-35(3)34-22/h6,9,11-13,15H,4-5,7-8,10,14H2,1-3H3,(H,30,37)(H,31,32,33)
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n/an/a 9n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379192
PNG
(CHEMBL2010877)
Show SMILES CC(C)n1c2ccc(Nc3cccnn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C27H25N7O/c1-14(2)34-21-9-6-15(30-22-5-4-10-29-31-22)11-17(21)24-18-12-28-27(35)25(18)23-16(26(24)34)7-8-20-19(23)13-33(3)32-20/h4-6,9-11,13-14H,7-8,12H2,1-3H3,(H,28,35)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379194
PNG
(CHEMBL2010873)
Show SMILES CCc1cnc(Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)nc1
Show InChI InChI=1S/C30H31N7O/c1-5-17-11-32-30(33-12-17)34-18-6-9-24-20(10-18)26-21-13-31-29(38)27(21)25-19(28(26)37(24)14-16(2)3)7-8-23-22(25)15-36(4)35-23/h6,9-12,15-16H,5,7-8,13-14H2,1-4H3,(H,31,38)(H,32,33,34)
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 13n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR1 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 14n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TAK1 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379194
PNG
(CHEMBL2010873)
Show SMILES CCc1cnc(Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)nc1
Show InChI InChI=1S/C30H31N7O/c1-5-17-11-32-30(33-12-17)34-18-6-9-24-20(10-18)26-21-13-31-29(38)27(21)25-19(28(26)37(24)14-16(2)3)7-8-23-22(25)15-36(4)35-23/h6,9-12,15-16H,5,7-8,13-14H2,1-4H3,(H,31,38)(H,32,33,34)
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n/an/a 14n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 21n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MST2 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 22n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379193
PNG
(CHEMBL2010871)
Show SMILES CCCn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C27H25N7O/c1-3-11-34-21-8-5-15(31-27-28-9-4-10-29-27)12-17(21)23-18-13-30-26(35)24(18)22-16(25(23)34)6-7-20-19(22)14-33(2)32-20/h4-5,8-10,12,14H,3,6-7,11,13H2,1-2H3,(H,30,35)(H,28,29,31)
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n/an/a 27n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379190
PNG
(CHEMBL2010875)
Show SMILES COc1ccnc(Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)n1
Show InChI InChI=1S/C29H29N7O2/c1-15(2)13-36-22-8-5-16(32-29-30-10-9-23(33-29)38-4)11-18(22)25-19-12-31-28(37)26(19)24-17(27(25)36)6-7-21-20(24)14-35(3)34-21/h5,8-11,14-15H,6-7,12-13H2,1-4H3,(H,31,37)(H,30,32,33)
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n/an/a 32n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 37n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cSrc using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 42n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Aurora-A using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 48n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CK1 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 50n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Tie2 expressed in porcine PAE145 cells cotransfected with chimeric rat TRK-A/KDR receptor after 1 hr by immunofluorescence assay


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379191
PNG
(CHEMBL2011061)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)14-35-22-7-5-16(33-28-29-9-4-10-30-28)11-18(22)24-20-12-31-27(36)25(20)23-17(26(24)35)6-8-21-19(23)13-32-34(21)3/h4-5,7,9-11,13,15H,6,8,12,14H2,1-3H3,(H,31,36)(H,29,30,33)
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n/an/a 63n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 71n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379196
PNG
(CHEMBL2010870)
Show SMILES CC(C)n1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C27H25N7O/c1-14(2)34-21-8-5-15(31-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(35)24(18)22-16(25(23)34)6-7-20-19(22)13-33(3)32-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,35)(H,28,29,31)
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n/an/a 76n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 78n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FMS using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 89n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human FGFR3 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 93n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BTK using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 132n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ALK using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 140n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CHK2 using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379192
PNG
(CHEMBL2010877)
Show SMILES CC(C)n1c2ccc(Nc3cccnn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C27H25N7O/c1-14(2)34-21-9-6-15(30-22-5-4-10-29-31-22)11-17(21)24-18-12-28-27(35)25(18)23-16(26(24)34)7-8-20-19(23)13-33(3)32-20/h4-6,9-11,13-14H,7-8,12H2,1-3H3,(H,28,35)(H,30,31)
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n/an/a 166n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379191
PNG
(CHEMBL2011061)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)14-35-22-7-5-16(33-28-29-9-4-10-30-28)11-18(22)24-20-12-31-27(36)25(20)23-17(26(24)35)6-8-21-19(23)13-32-34(21)3/h4-5,7,9-11,13,15H,6,8,12,14H2,1-3H3,(H,31,36)(H,29,30,33)
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n/an/a 241n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 246n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRalpha using ATP as substrate


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379187
PNG
(CHEMBL2010878)
Show SMILES CC(C)n1c2ccc(Nc3ccncc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H26N6O/c1-15(2)34-23-7-4-17(31-16-8-10-29-11-9-16)12-19(23)25-20-13-30-28(35)26(20)24-18(27(25)34)5-6-22-21(24)14-33(3)32-22/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,29,31)(H,30,35)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379188
PNG
(CHEMBL2010876)
Show SMILES CC(C)Cn1c2ccc(Nc3nccc(n3)C(F)(F)F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C29H26F3N7O/c1-14(2)12-39-21-7-4-15(35-28-33-9-8-22(36-28)29(30,31)32)10-17(21)24-18-11-34-27(40)25(18)23-16(26(24)39)5-6-20-19(23)13-38(3)37-20/h4,7-10,13-14H,5-6,11-12H2,1-3H3,(H,34,40)(H,33,35,36)
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n/an/a 271n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379190
PNG
(CHEMBL2010875)
Show SMILES COc1ccnc(Nc2ccc3n(CC(C)C)c4c5CCc6nn(C)cc6-c5c5C(=O)NCc5c4c3c2)n1
Show InChI InChI=1S/C29H29N7O2/c1-15(2)13-36-22-8-5-16(32-29-30-10-9-23(33-29)38-4)11-18(22)25-19-12-31-28(37)26(19)24-17(27(25)36)6-7-21-20(24)14-35(3)34-21/h5,8-11,14-15H,6-7,12-13H2,1-4H3,(H,31,37)(H,30,32,33)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379189
PNG
(CHEMBL2010874)
Show SMILES CC(C)Cn1c2ccc(Nc3nc(C)cc(C)n3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C30H31N7O/c1-15(2)13-37-24-9-6-18(34-30-32-16(3)10-17(4)33-30)11-20(24)26-21-12-31-29(38)27(21)25-19(28(26)37)7-8-23-22(25)14-36(5)35-23/h6,9-11,14-15H,7-8,12-13H2,1-5H3,(H,31,38)(H,32,33,34)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGF-R2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluore...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379188
PNG
(CHEMBL2010876)
Show SMILES CC(C)Cn1c2ccc(Nc3nccc(n3)C(F)(F)F)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C29H26F3N7O/c1-14(2)12-39-21-7-4-15(35-28-33-9-8-22(36-28)29(30,31)32)10-17(21)24-18-11-34-27(40)25(18)23-16(26(24)39)5-6-20-19(23)13-38(3)37-20/h4,7-10,13-14H,5-6,11-12H2,1-3H3,(H,34,40)(H,33,35,36)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379187
PNG
(CHEMBL2010878)
Show SMILES CC(C)n1c2ccc(Nc3ccncc3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H26N6O/c1-15(2)34-23-7-4-17(31-16-8-10-29-11-9-16)12-19(23)25-20-13-30-28(35)26(20)24-18(27(25)34)5-6-22-21(24)14-33(3)32-22/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,29,31)(H,30,35)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
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))
BDBM50379189
PNG
(CHEMBL2010874)
Show SMILES CC(C)Cn1c2ccc(Nc3nc(C)cc(C)n3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C30H31N7O/c1-15(2)13-37-24-9-6-18(34-30-32-16(3)10-17(4)33-30)11-20(24)26-21-12-31-29(38)27(21)25-19(28(26)37)7-8-23-22(25)14-36(5)35-23/h6,9-11,14-15H,7-8,12-13H2,1-5H3,(H,31,38)(H,32,33,34)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50379186
PNG
(CEP-11981 | CHEMBL2010872)
Show SMILES CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
Show InChI InChI=1S/C28H27N7O/c1-15(2)13-35-22-8-5-16(32-28-29-9-4-10-30-28)11-18(22)24-19-12-31-27(36)25(19)23-17(26(24)35)6-7-21-20(23)14-34(3)33-21/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,31,36)(H,29,30,32)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50382959
PNG
(CEP-32496 | CHEMBL2029988 | US9730937, Example 261)
Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


J Med Chem 55: 1082-105 (2012)


Article DOI: 10.1021/jm2009925
BindingDB Entry DOI: 10.7270/Q2571D2T
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))
BDBM50136008
PNG
(12-(3-hydroxypropyl)-9-isopropoxymethyl-6,7,12,13-...)
Show SMILES CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C28H28N2O3/c1-16(2)33-15-17-8-9-23-20(12-17)25-22-14-29-28(32)26(22)24-19-7-4-3-6-18(19)13-21(24)27(25)30(23)10-5-11-31/h3-4,6-9,12,16,31H,5,10-11,13-15H2,1-2H3,(H,29,32)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Tie2 expressed in baculovirus expression system using GST-PLCgamma as substrate after 1 hr by time-resolved fluoresce...


J Med Chem 55: 903-13 (2012)


Article DOI: 10.1021/jm201449n
BindingDB Entry DOI: 10.7270/Q2ZS2XHW
More data for this
Ligand-Target Pair
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