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Compile Data Set for Download or QSAR

Found 308 hits with Last Name = 'meyer' and Initial = 'sl'   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99619
PNG
(CHEMBL2062807 | US8501936, 120)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12
Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27)
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n/an/a 0.640n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 0.700n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99529
PNG
(CHEMBL2062802 | US8501936, 27)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26)
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n/an/a 0.800n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389186
PNG
(CHEMBL2062803 | US8501936, 4)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99559
PNG
(CHEMBL2062808 | US8501936, 57)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)
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n/an/a 1.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99555
PNG
(CHEMBL2062810 | US8501936, 53)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29)
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n/an/a 1.27n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99611
PNG
(CHEMBL2062801 | US8501936, 112)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 1.30n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99542
PNG
(CHEMBL2062798 | US8501936, 40)
Show SMILES COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 1.40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99560
PNG
(CHEMBL2062529 | US8501936, 58)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H35N7O2S/c1-33-17-19-35(20-18-33)24-12-15-34(16-13-24)25-6-3-5-23(21-25)30-29-31-28-27(7-4-14-36(28)32-29)22-8-10-26(11-9-22)39(2,37)38/h3-11,14,21,24H,12-13,15-20H2,1-2H3,(H,30,32)
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n/an/a 1.40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389176
PNG
(CHEMBL2062796)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-11-9-14(10-12-16)17-8-5-13-23-18(17)21-19(22-23)20-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(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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n/an/a 1.60n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine-protein kinase receptor FLT3 (fms-related tyrosine kinase 3) receptor


J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99537
PNG
(CHEMBL2062804 | US8501936, 35)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 1.80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318946
PNG
(CHEMBL1085293 | rac-9-(2-hydroxyethyl)-5-methyl-12...)
Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c3n(CCO)c3ccc(cc23)C2CCCCO2)n1
Show InChI InChI=1S/C27H28N4O3/c1-30-14-19-20(29-30)7-6-16-23(19)25-18(13-28-27(25)33)24-17-12-15(22-4-2-3-11-34-22)5-8-21(17)31(9-10-32)26(16)24/h5,8,12,14,22,32H,2-4,6-7,9-11,13H2,1H3,(H,28,33)
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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 VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50318963
PNG
(CHEMBL1084061 | rac-5-methyl-9-propyl-12-(tetrahyd...)
Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h7,10,13,15,23H,3-6,8-9,11-12,14H2,1-2H3,(H,29,33)
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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 TIE-2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50318959
PNG
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)
Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34)
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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 TIE-2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389203
PNG
(CHEMBL2062813 | US8501936, 198)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1
Show InChI InChI=1S/C25H29N6OP/c1-29-14-16-30(17-15-29)21-7-4-6-20(18-21)26-25-27-24-23(8-5-13-31(24)28-25)19-9-11-22(12-10-19)33(2,3)32/h4-13,18H,14-17H2,1-3H3,(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99534
PNG
(CHEMBL2062805 | US8501936, 32)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-9-7-19(8-10-20)25-24-26-23-22(4-3-13-30(23)27-24)18-5-11-21(12-6-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99521
PNG
(CHEMBL2062799 | US8501936, 19)
Show SMILES COc1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-9-7-15(8-10-16)21-20-22-19-18(4-3-13-24(19)23-20)14-5-11-17(12-6-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99615
PNG
(CHEMBL2062806 | US8501936, 116)
Show SMILES CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-29-13-15-30(16-14-29)18-19-5-3-6-21(17-19)26-25-27-24-23(7-4-12-31(24)28-25)20-8-10-22(11-9-20)34(2,32)33/h3-12,17H,13-16,18H2,1-2H3,(H,26,28)
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n/an/a 3.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291234
PNG
(CHEMBL150600 | [(S)-1-((S)-1-Formyl-2-methyl-propy...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)C(C)C
Show InChI InChI=1S/C19H28N2O4/c1-13(2)10-16(18(23)20-17(11-22)14(3)4)21-19(24)25-12-15-8-6-5-7-9-15/h5-9,11,13-14,16-17H,10,12H2,1-4H3,(H,20,23)(H,21,24)/t16-,17+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99567
PNG
(CHEMBL2062811 | US8501936, 65)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6/c1-31-12-14-32(15-13-31)20-5-2-4-19(16-20)28-23-29-22-21(6-3-11-33(22)30-23)17-7-9-18(10-8-17)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,30)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291219
PNG
(CHEMBL151521 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C=O
Show InChI InChI=1S/C20H30N2O4/c1-14(2)11-16(12-23)21-18(24)17(20(3,4)5)22-19(25)26-13-15-9-7-6-8-10-15/h6-10,12,14,16-17H,11,13H2,1-5H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50136019
PNG
(9-ethoxymethyl-12-(3-hydroxypropyl)-6,7,12,13-tetr...)
Show SMILES CCOCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C27H26N2O3/c1-2-32-15-16-8-9-22-19(12-16)24-21-14-28-27(31)25(21)23-18-7-4-3-6-17(18)13-20(23)26(24)29(22)10-5-11-30/h3-4,6-9,12,30H,2,5,10-11,13-15H2,1H3,(H,28,31)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2


J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(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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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 3


J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50084655
PNG
(CHEMBL92708 | Calpeptin | Z-Leu-Nle-CHO | [(S)-1-(...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O |r|
Show InChI InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50318958
PNG
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)
Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34)
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 at 3 uM


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291225
PNG
(CHEMBL357595 | {(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C23H35N3O5/c1-15(2)11-19(13-27)25-22(29)20(12-16(3)4)26-21(28)17(5)24-23(30)31-14-18-9-7-6-8-10-18/h6-10,13,15-17,19-20H,11-12,14H2,1-5H3,(H,24,30)(H,25,29)(H,26,28)/t17-,19+,20+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318960
PNG
(CHEMBL1082503 | rac-5-methyl-12-(tetrahydro-2H-pyr...)
Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4[nH]c32)C2CCCCO2)n1
Show InChI InChI=1S/C25H24N4O2/c1-29-12-17-19(28-29)8-6-14-21(17)23-16(11-26-25(23)30)22-15-10-13(20-4-2-3-9-31-20)5-7-18(15)27-24(14)22/h5,7,10,12,20,27H,2-4,6,8-9,11H2,1H3,(H,26,30)
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n/an/a 5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99612
PNG
(CHEMBL2062800 | US8501936, 113)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-10-8-14(9-11-16)18-7-4-12-24-19(18)22-20(23-24)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 5.60n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291188
PNG
(((S)-1-{(R)-1-[(S)-1-((S)-1-Formyl-3-methyl-butylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C29H46N4O6/c1-18(2)13-23(16-34)31-27(36)24(14-19(3)4)33-28(37)25(15-20(5)6)32-26(35)21(7)30-29(38)39-17-22-11-9-8-10-12-22/h8-12,16,18-21,23-25H,13-15,17H2,1-7H3,(H,30,38)(H,31,36)(H,32,35)(H,33,37)/t21-,23-,24-,25+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318962
PNG
(CHEMBL1083757 | rac-9-ethyl-5-methyl-12-(tetrahydr...)
Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C27H28N4O2/c1-3-31-21-10-7-15(22-6-4-5-11-33-22)12-17(21)24-18-13-28-27(32)25(18)23-16(26(24)31)8-9-20-19(23)14-30(2)29-20/h7,10,12,14,22H,3-6,8-9,11,13H2,1-2H3,(H,28,32)
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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 VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318957
PNG
(9-(2-hydroxyethyl)-6-methyl-12-(tetrahydro-2H-pyra...)
Show SMILES Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c1n(CCO)c1ccc(cc21)C1CCCCO1
Show InChI InChI=1S/C27H28N4O3/c1-30-20-8-6-16-23(18(20)14-29-30)25-19(13-28-27(25)33)24-17-12-15(22-4-2-3-11-34-22)5-7-21(17)31(9-10-32)26(16)24/h5,7,12,14,22,32H,2-4,6,8-11,13H2,1H3,(H,28,33)
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n/an/a 7n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291222
PNG
(CHEMBL423222 | {(S)-1-[(S)-1-(4-Benzyloxy-benzyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C=O
Show InChI InChI=1S/C30H34N2O5/c1-22(2)17-28(32-30(35)37-21-25-11-7-4-8-12-25)29(34)31-26(19-33)18-23-13-15-27(16-14-23)36-20-24-9-5-3-6-10-24/h3-16,19,22,26,28H,17-18,20-21H2,1-2H3,(H,31,34)(H,32,35)/t26-,28-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291236
PNG
(CHEMBL356841 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C20H30N2O4/c1-14(2)10-17(12-23)21-19(24)18(11-15(3)4)22-20(25)26-13-16-8-6-5-7-9-16/h5-9,12,14-15,17-18H,10-11,13H2,1-4H3,(H,21,24)(H,22,25)/t17-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291228
PNG
(CHEMBL347742 | [(S)-1-((S)-1-Formyl-3-methyl-butyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C=O
Show InChI InChI=1S/C20H29N3O6/c1-13(2)9-16(11-24)21-19(25)18(10-14(3)4)22-20(26)29-12-15-5-7-17(8-6-15)23(27)28/h5-8,11,13-14,16,18H,9-10,12H2,1-4H3,(H,21,25)(H,22,26)/t16-,18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318949
PNG
(6-methyl-12-(tetrahydro-2H-pyran-2-yl)-6,7,8,9-tet...)
Show SMILES Cn1ncc-2c1CCc1c-2c2C(=O)NCc2c2c3cc(ccc3[nH]c12)C1CCCCO1
Show InChI InChI=1S/C25H24N4O2/c1-29-19-8-6-14-21(16(19)12-27-29)23-17(11-26-25(23)30)22-15-10-13(20-4-2-3-9-31-20)5-7-18(15)28-24(14)22/h5,7,10,12,20,28H,2-4,6,8-9,11H2,1H3,(H,26,30)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291192
PNG
(CHEMBL345337 | [(S)-1-[(R)-1-((R)-1-Formyl-3-methy...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1S/C29H39N3O6/c1-19(2)14-23(17-33)30-27(35)25(15-20(3)4)31-28(36)26(16-21-10-12-24(34)13-11-21)32-29(37)38-18-22-8-6-5-7-9-22/h5-13,17,19-20,23,25-26,34H,14-16,18H2,1-4H3,(H,30,35)(H,31,36)(H,32,37)/t23-,25-,26+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389177
PNG
(CHEMBL2062795)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-10-5-7-14(13-16)17-11-6-12-23-18(17)21-19(22-23)20-15-8-3-2-4-9-15/h2-13H,1H3,(H,20,22)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc

Curated by ChEMBL


Assay Description
Inhibition of human Vascular endothelial growth factor receptor 2


J Med Chem 46: 5375-88 (2003)


Article DOI: 10.1021/jm0301641
BindingDB Entry DOI: 10.7270/Q2V69J1X
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318963
PNG
(CHEMBL1084061 | rac-5-methyl-9-propyl-12-(tetrahyd...)
Show SMILES CCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C28H30N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h7,10,13,15,23H,3-6,8-9,11-12,14H2,1-2H3,(H,29,33)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318951
PNG
(9-ethyl-6-methyl-12-(tetrahydro-2H-pyran-2-yl)-6,7...)
Show SMILES CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cnn(C)c4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C27H28N4O2/c1-3-31-21-9-7-15(22-6-4-5-11-33-22)12-17(21)24-19-13-28-27(32)25(19)23-16(26(24)31)8-10-20-18(23)14-29-30(20)2/h7,9,12,14,22H,3-6,8,10-11,13H2,1-2H3,(H,28,32)
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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 VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50318959
PNG
(CHEMBL1084337 | rac-9-isobutyl-5-methyl-12-(tetrah...)
Show SMILES CC(C)Cn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C29H32N4O2/c1-16(2)14-33-23-10-7-17(24-6-4-5-11-35-24)12-19(23)26-20-13-30-29(34)27(20)25-18(28(26)33)8-9-22-21(25)15-32(3)31-22/h7,10,12,15-16,24H,4-6,8-9,11,13-14H2,1-3H3,(H,30,34)
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n/an/a 9n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 at 3 uM


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50318970
PNG
(CHEMBL1082755 | rac-9-allyl-5-methyl-12-(tetrahydr...)
Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(CC=C)c32)C2CCCCO2)n1
Show InChI InChI=1S/C28H28N4O2/c1-3-11-32-22-10-7-16(23-6-4-5-12-34-23)13-18(22)25-19-14-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)15-31(2)30-21/h3,7,10,13,15,23H,1,4-6,8-9,11-12,14H2,2H3,(H,29,33)
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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 TIE-2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318958
PNG
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)
Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34)
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n/an/a 10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50318964
PNG
(CHEMBL1084062 | rac-9-isopropyl-5-methyl-12-(tetra...)
Show SMILES CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C28H30N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12,14-15,23H,4-6,8-9,11,13H2,1-3H3,(H,29,33)
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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 TIE-2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50318958
PNG
(CHEMBL1082829 | rac-9-butyl-5-methyl-12-(tetrahydr...)
Show SMILES CCCCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C29H32N4O2/c1-3-4-12-33-23-11-8-17(24-7-5-6-13-35-24)14-19(23)26-20-15-30-29(34)27(20)25-18(28(26)33)9-10-22-21(25)16-32(2)31-22/h8,11,14,16,24H,3-7,9-10,12-13,15H2,1-2H3,(H,30,34)
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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 TIE-2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318960
PNG
(CHEMBL1082503 | rac-5-methyl-12-(tetrahydro-2H-pyr...)
Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4[nH]c32)C2CCCCO2)n1
Show InChI InChI=1S/C25H24N4O2/c1-29-12-17-19(28-29)8-6-14-21(17)23-16(11-26-25(23)30)22-15-10-13(20-4-2-3-9-31-20)5-7-18(15)27-24(14)22/h5,7,10,12,20,27H,2-4,6,8-9,11H2,1H3,(H,26,30)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318961
PNG
(CHEMBL1082826 | rac-5,9-dimethyl-12-(tetrahydro-2H...)
Show SMILES Cn1cc-2c(CCc3c-2c2C(=O)NCc2c2c4cc(ccc4n(C)c32)C2CCCCO2)n1
Show InChI InChI=1S/C26H26N4O2/c1-29-13-18-19(28-29)8-7-15-22(18)24-17(12-27-26(24)31)23-16-11-14(21-5-3-4-10-32-21)6-9-20(16)30(2)25(15)23/h6,9,11,13,21H,3-5,7-8,10,12H2,1-2H3,(H,27,31)
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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 VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318964
PNG
(CHEMBL1084062 | rac-9-isopropyl-5-methyl-12-(tetra...)
Show SMILES CC(C)n1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C1CCCCO1
Show InChI InChI=1S/C28H30N4O2/c1-15(2)32-22-10-7-16(23-6-4-5-11-34-23)12-18(22)25-19-13-29-28(33)26(19)24-17(27(25)32)8-9-21-20(24)14-31(3)30-21/h7,10,12,14-15,23H,4-6,8-9,11,13H2,1-3H3,(H,29,33)
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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 VEGFR2 by time resolved fluorescence measurements


Bioorg Med Chem Lett 20: 3356-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.021
BindingDB Entry DOI: 10.7270/Q2HT2PH9
More data for this
Ligand-Target Pair
Calpain-1 catalytic subunit


(Homo sapiens (Human))
BDBM50291223
PNG
(CHEMBL150134 | Naphthalene-2-carboxylic acid {(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1)C=O
Show InChI InChI=1S/C29H41N3O4/c1-18(2)13-24(17-33)30-28(35)25(14-19(3)4)32-29(36)26(15-20(5)6)31-27(34)23-12-11-21-9-7-8-10-22(21)16-23/h7-12,16-20,24-26H,13-15H2,1-6H3,(H,30,35)(H,31,34)(H,32,36)/t24-,25-,26+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against recombinant human calpain 1


Bioorg Med Chem Lett 7: 539-544 (1997)


Article DOI: 10.1016/S0960-894X(97)00063-2
BindingDB Entry DOI: 10.7270/Q2W37WBM
More data for this
Ligand-Target Pair
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