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PubMed code 12749903

Compile data set for download or QSAR
Found 69 hits of Enzyme Inhibition Constant Data   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM7240
PNG
((3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-
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n/an/a 4n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7244
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H12N2O5/c20-15-11(10-5-8(16(21)22)1-2-13(10)19-15)6-14-9-3-4-24-17(23)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H,21,22)/b11-6-
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n/an/a 4n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7254
PNG
((3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrro...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C17H16N4O4S/c1-18-26(24,25)9-2-3-14-11(6-9)12(17(23)21-14)7-15-10-4-5-19-16(22)13(10)8-20-15/h2-3,6-8,18,20H,4-5H2,1H3,(H,19,22)(H,21,23)/b12-7-
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n/an/a 9n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7250
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCOC2=O
Show InChI InChI=1S/C21H21N3O3/c25-20-15(10-18-14-6-9-27-21(26)16(14)11-23-18)19-13(2-1-3-17(19)24-20)12-4-7-22-8-5-12/h1-3,10-12,22-23H,4-9H2,(H,24,25)/b15-10-
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n/an/a 9n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7241
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H13N3O5S/c17-25(22,23)8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-24-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H2,17,22,23)/b11-6-
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n/an/a 12n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7249
PNG
((3Z)-4-(2-hydroxyethyl)-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C18H16N2O4/c21-6-4-10-2-1-3-14-16(10)12(17(22)20-14)8-15-11-5-7-24-18(23)13(11)9-19-15/h1-3,8-9,19,21H,4-7H2,(H,20,22)/b12-8-
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n/an/a 30n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7243
PNG
((3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-
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n/an/a 33n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a 40n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7260
PNG
((3Z)-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridi...)
Show SMILES O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCNC2=O
Show InChI InChI=1S/C21H22N4O2/c26-20-16-11-24-18(14(16)6-9-23-20)10-15-19-13(12-4-7-22-8-5-12)2-1-3-17(19)25-21(15)27/h1-3,10-12,22,24H,4-9H2,(H,23,26)(H,25,27)/b15-10-
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n/an/a 49n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7242
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-
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n/an/a 64n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7256
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C17H13N3O4/c21-15-12-7-19-14(9(12)3-4-18-15)6-11-10-5-8(17(23)24)1-2-13(10)20-16(11)22/h1-2,5-7,19H,3-4H2,(H,18,21)(H,20,22)(H,23,24)/b11-6-
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n/an/a 68n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7255
PNG
((3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-p...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C18H18N4O4S/c1-22(2)27(25,26)10-3-4-15-12(7-10)13(18(24)21-15)8-16-11-5-6-19-17(23)14(11)9-20-16/h3-4,7-9,20H,5-6H2,1-2H3,(H,19,23)(H,21,24)/b13-8-
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n/an/a 68n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7245
PNG
((3Z)-5-fluoro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 82n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7246
PNG
((3Z)-5-chloro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Clc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11ClN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 88n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 110n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/a 130n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7247
PNG
((3Z)-5-bromo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]py...)
Show SMILES Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11BrN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 190n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7253
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C17H15N3O3/c1-23-9-2-3-14-11(6-9)12(17(22)20-14)7-15-10-4-5-18-16(21)13(10)8-19-15/h2-3,6-8,19H,4-5H2,1H3,(H,18,21)(H,20,22)/b12-7-
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n/an/a 250n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7248
PNG
((3Z)-4-methyl-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-
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n/an/a 270n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7257
PNG
((3Z)-5-fluoro-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4...)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C16H12FN3O2/c17-8-1-2-13-10(5-8)11(16(22)20-13)6-14-9-3-4-18-15(21)12(9)7-19-14/h1-2,5-7,19H,3-4H2,(H,18,21)(H,20,22)/b11-6-
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n/an/a 300n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7259
PNG
((3Z)-4-(2-hydroxyethyl)-3-({4-oxo-2H,4H,5H,6H,7H-p...)
Show SMILES OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c12
Show InChI InChI=1S/C18H17N3O3/c22-7-5-10-2-1-3-14-16(10)12(18(24)21-14)8-15-11-4-6-19-17(23)13(11)9-20-15/h1-3,8-9,20,22H,4-7H2,(H,19,23)(H,21,24)/b12-8-
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n/an/a 340n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7250
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCOC2=O
Show InChI InChI=1S/C21H21N3O3/c25-20-15(10-18-14-6-9-27-21(26)16(14)11-23-18)19-13(2-1-3-17(19)24-20)12-4-7-22-8-5-12/h1-3,10-12,22-23H,4-9H2,(H,24,25)/b15-10-
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n/an/a 490n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7258
PNG
((3Z)-5-bromo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-...)
Show SMILES Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
Show InChI InChI=1S/C16H12BrN3O2/c17-8-1-2-13-10(5-8)11(16(22)20-13)6-14-9-3-4-18-15(21)12(9)7-19-14/h1-2,5-7,19H,3-4H2,(H,18,21)(H,20,22)/b11-6-
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n/an/a 530n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7250
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCOC2=O
Show InChI InChI=1S/C21H21N3O3/c25-20-15(10-18-14-6-9-27-21(26)16(14)11-23-18)19-13(2-1-3-17(19)24-20)12-4-7-22-8-5-12/h1-3,10-12,22-23H,4-9H2,(H,24,25)/b15-10-
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n/an/a 1.10E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7252
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCOC2=O)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3/c25-21-17(11-19-16-8-9-27-22(26)18(16)12-23-19)15-7-6-14(10-20(15)24-21)13-4-2-1-3-5-13/h1-7,10-12,23H,8-9H2,(H,24,25)/b17-11-
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n/an/a 1.10E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7250
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCOC2=O
Show InChI InChI=1S/C21H21N3O3/c25-20-15(10-18-14-6-9-27-21(26)16(14)11-23-18)19-13(2-1-3-17(19)24-20)12-4-7-22-8-5-12/h1-3,10-12,22-23H,4-9H2,(H,24,25)/b15-10-
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n/an/a 1.10E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7249
PNG
((3Z)-4-(2-hydroxyethyl)-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C18H16N2O4/c21-6-4-10-2-1-3-14-16(10)12(17(22)20-14)8-15-11-5-7-24-18(23)13(11)9-19-15/h1-3,8-9,19,21H,4-7H2,(H,20,22)/b12-8-
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n/an/a 1.20E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7251
PNG
((3Z)-6-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2\C(=C\c3[nH]cc4c3CCOC4=O)C(=O)Nc2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a 1.40E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7251
PNG
((3Z)-6-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2\C(=C\c3[nH]cc4c3CCOC4=O)C(=O)Nc2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a 1.50E+3n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7252
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCOC2=O)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3/c25-21-17(11-19-16-8-9-27-22(26)18(16)12-23-19)15-7-6-14(10-20(15)24-21)13-4-2-1-3-5-13/h1-7,10-12,23H,8-9H2,(H,24,25)/b17-11-
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n/an/a 2.00E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7246
PNG
((3Z)-5-chloro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Clc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11ClN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 2.10E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7261
PNG
((3Z)-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridi...)
Show SMILES O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCNC2=O)-c1ccccc1
Show InChI InChI=1S/C22H17N3O2/c26-21-18-12-24-19(16(18)8-9-23-21)11-17-15-7-6-14(10-20(15)25-22(17)27)13-4-2-1-3-5-13/h1-7,10-12,24H,8-9H2,(H,23,26)(H,25,27)/b17-11-
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n/an/a 5.70E+3n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7244
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H12N2O5/c20-15-11(10-5-8(16(21)22)1-2-13(10)19-15)6-14-9-3-4-24-17(23)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H,21,22)/b11-6-
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n/an/a 6.20E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7241
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H13N3O5S/c17-25(22,23)8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-24-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H2,17,22,23)/b11-6-
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n/an/a 6.60E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7240
PNG
((3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-
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n/an/a 6.60E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7242
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-
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n/an/a 6.70E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7252
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCOC2=O)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3/c25-21-17(11-19-16-8-9-27-22(26)18(16)12-23-19)15-7-6-14(10-20(15)24-21)13-4-2-1-3-5-13/h1-7,10-12,23H,8-9H2,(H,24,25)/b17-11-
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n/an/a 8.40E+3n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7245
PNG
((3Z)-5-fluoro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 1.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7252
PNG
((3Z)-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrrol-1-y...)
Show SMILES O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCOC2=O)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3/c25-21-17(11-19-16-8-9-27-22(26)18(16)12-23-19)15-7-6-14(10-20(15)24-21)13-4-2-1-3-5-13/h1-7,10-12,23H,8-9H2,(H,24,25)/b17-11-
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n/an/a>1.00E+4n/an/an/an/a7.422



SUGEN, Inc.



Assay Description
For the assay, purified cdk/cyclin was added to polystyrene 96-well plates that were precoated with GST-Rb substrate in the presence of ATP. After i...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7247
PNG
((3Z)-5-bromo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]py...)
Show SMILES Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11BrN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 1.10E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 1.10E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7241
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H13N3O5S/c17-25(22,23)8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-24-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H2,17,22,23)/b11-6-
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n/an/a 1.30E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7238
PNG
((3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3...)
Show SMILES COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
Show InChI InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)
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n/an/a 1.80E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7247
PNG
((3Z)-5-bromo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]py...)
Show SMILES Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11BrN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a 1.80E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7247
PNG
((3Z)-5-bromo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]py...)
Show SMILES Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11BrN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7249
PNG
((3Z)-4-(2-hydroxyethyl)-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C18H16N2O4/c21-6-4-10-2-1-3-14-16(10)12(17(22)20-14)8-15-11-5-7-24-18(23)13(11)9-19-15/h1-3,8-9,19,21H,4-7H2,(H,20,22)/b12-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7240
PNG
((3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7246
PNG
((3Z)-5-chloro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Clc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11ClN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7241
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H13N3O5S/c17-25(22,23)8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-24-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H2,17,22,23)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7244
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H12N2O5/c20-15-11(10-5-8(16(21)22)1-2-13(10)19-15)6-14-9-3-4-24-17(23)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H,21,22)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7246
PNG
((3Z)-5-chloro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Clc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11ClN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7245
PNG
((3Z)-5-fluoro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7248
PNG
((3Z)-4-methyl-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7251
PNG
((3Z)-6-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2\C(=C\c3[nH]cc4c3CCOC4=O)C(=O)Nc2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7248
PNG
((3Z)-4-methyl-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7243
PNG
((3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7245
PNG
((3Z)-5-fluoro-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C16H11FN2O3/c17-8-1-2-13-10(5-8)11(15(20)19-13)6-14-9-3-4-22-16(21)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7249
PNG
((3Z)-4-(2-hydroxyethyl)-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C18H16N2O4/c21-6-4-10-2-1-3-14-16(10)12(17(22)20-14)8-15-11-5-7-24-18(23)13(11)9-19-15/h1-3,8-9,19,21H,4-7H2,(H,20,22)/b12-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7239
PNG
((3Z)-5-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-14-11(6-9)12(16(20)19-14)7-15-10-4-5-23-17(21)13(10)8-18-15/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7251
PNG
((3Z)-6-methoxy-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]...)
Show SMILES COc1ccc2\C(=C\c3[nH]cc4c3CCOC4=O)C(=O)Nc2c1
Show InChI InChI=1S/C17H14N2O4/c1-22-9-2-3-10-12(16(20)19-15(10)6-9)7-14-11-4-5-23-17(21)13(11)8-18-14/h2-3,6-8,18H,4-5H2,1H3,(H,19,20)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7243
PNG
((3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7242
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7240
PNG
((3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7244
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C17H12N2O5/c20-15-11(10-5-8(16(21)22)1-2-13(10)19-15)6-14-9-3-4-24-17(23)12(9)7-18-14/h1-2,5-7,18H,3-4H2,(H,19,20)(H,21,22)/b11-6-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM7242
PNG
((3Z)-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]pyrr...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C19H19N3O5S/c1-10(2)22-28(25,26)11-3-4-16-13(7-11)14(18(23)21-16)8-17-12-5-6-27-19(24)15(12)9-20-17/h3-4,7-10,20,22H,5-6H2,1-2H3,(H,21,23)/b14-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
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))
BDBM7243
PNG
((3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,6H,7H-pyra...)
Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
Show InChI InChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM7248
PNG
((3Z)-4-methyl-3-({4-oxo-2H,4H,6H,7H-pyrano[3,4-c]p...)
Show SMILES Cc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
Show InChI InChI=1S/C17H14N2O3/c1-9-3-2-4-13-15(9)11(16(20)19-13)7-14-10-5-6-22-17(21)12(10)8-18-14/h2-4,7-8,18H,5-6H2,1H3,(H,19,20)/b11-7-
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n/an/a>2.00E+4n/an/an/an/an/a25



SUGEN, Inc.



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of PDGFR-beta kinase autophosphorylation activity. The assay was performed in 96-well microtit...


Bioorg Med Chem Lett 13: 1939-42 (2003)


Article DOI: 10.1107/S0907444905022638
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%