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Compile Data Set for Download or QSAR

Found 556 hits with Last Name = 'tran' and Initial = 'n'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4917
PNG
((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12
Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-
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n/an/a 4n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4915
PNG
(3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12
Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-
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n/an/a 4n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4900
PNG
(3-(2,4-dimethyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydr...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O
Show InChI InChI=1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13-
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n/an/a 10n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
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))
BDBM4907
PNG
((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-
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n/an/a 20n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4917
PNG
((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12
Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-
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n/an/a 20n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
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))
BDBM4882
PNG
((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
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n/an/a 20n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
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))
BDBM4882
PNG
((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
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n/an/a 20n/an/an/an/a7.522



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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
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))
BDBM4906
PNG
((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-
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n/an/a 30n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
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))
BDBM4915
PNG
(3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12
Show InChI InChI=1S/C20H19BrN2O3/c21-11-5-7-17-14(9-11)15(20(26)23-17)10-18-13(6-8-19(24)25)12-3-1-2-4-16(12)22-18/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)/b15-10-
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n/an/a 30n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4882
PNG
((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
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n/an/a 30n/an/an/an/an/an/a



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4883
PNG
(3-(4-methyl-2-{[(3Z)-4-methyl-2-oxo-2,3-dihydro-1H...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3cccc(C)c23)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-4-3-5-14-17(10)13(18(23)20-14)8-15-12(6-7-16(21)22)11(2)9-19-15/h3-5,8-9,19H,6-7H2,1-2H3,(H,20,23)(H,21,22)/b13-8-
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n/an/a 30n/an/an/an/an/an/a



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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4882
PNG
((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
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n/an/a 30n/an/an/an/an/an/a



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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
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))
BDBM4922
PNG
(3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-
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n/an/a 30n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4919
PNG
(3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12
Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-
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n/an/a 40n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16735
PNG
(N-(2-{4-[(3R)-3-hydroxy-3-phenylpropyl]piperazin-1...)
Show SMILES O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m1/s1
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n/an/a 46n/an/an/an/a7.525



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
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))
BDBM4919
PNG
(3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12
Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-
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n/an/a 50n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4896
PNG
(3-(5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H17BrN2O3/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)/b14-8-
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n/an/a 60n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4917
PNG
((3Z)-3-{[3-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12
Show InChI InChI=1S/C21H20N2O5/c24-19(25)8-6-13-12-3-1-2-4-16(12)22-18(13)10-15-14-9-11(21(27)28)5-7-17(14)23-20(15)26/h5,7,9-10,22H,1-4,6,8H2,(H,23,26)(H,24,25)(H,27,28)/b15-10-
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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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4922
PNG
(3-(2-{[(3Z)-6-(4-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C27H26N2O4/c1-33-18-9-6-16(7-10-18)17-8-11-21-22(27(32)29-24(21)14-17)15-25-20(12-13-26(30)31)19-4-2-3-5-23(19)28-25/h6-11,14-15,28H,2-5,12-13H2,1H3,(H,29,32)(H,30,31)/b22-15-
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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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 60n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
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))
BDBM4921
PNG
(3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-
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n/an/a 60n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16733
PNG
(4-[1-(5-Amino)-pentyl]-1-{4-(phenyl)-2-[(naphthale...)
Show SMILES NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C32H36N4O/c33-18-7-2-8-19-35-20-22-36(23-21-35)31-17-16-27(25-10-3-1-4-11-25)24-30(31)34-32(37)29-15-9-13-26-12-5-6-14-28(26)29/h1,3-6,9-17,24H,2,7-8,18-23,33H2,(H,34,37)
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Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16734
PNG
(N-(2-{4-[(3S)-3-hydroxy-3-phenylpropyl]piperazin-1...)
Show SMILES O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C36H35N3O2/c40-35(29-13-5-2-6-14-29)20-21-38-22-24-39(25-23-38)34-19-18-30(27-10-3-1-4-11-27)26-33(34)37-36(41)32-17-9-15-28-12-7-8-16-31(28)32/h1-19,26,35,40H,20-25H2,(H,37,41)/t35-/m0/s1
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n/an/a 69n/an/an/an/a7.525



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
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))
BDBM4905
PNG
((3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylme...)
Show SMILES Brc1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C17H15BrN2O/c18-11-5-6-16-13(8-11)14(17(21)20-16)9-12-7-10-3-1-2-4-15(10)19-12/h5-9,19H,1-4H2,(H,20,21)/b14-9-
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n/an/a 70n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Mus musculus)
BDBM50065308
PNG
((Z )-3-[(2,4-dimethyl-3-(ethoxycarbonyl)pyrrol-5-y...)
Show SMILES CCOC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
Show InChI InChI=1S/C18H18N2O3/c1-4-23-18(22)16-10(2)15(19-11(16)3)9-13-12-7-5-6-8-14(12)20-17(13)21/h5-9,19H,4H2,1-3H3,(H,20,21)/b13-9-
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SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
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))
BDBM4897
PNG
((3Z)-3-{[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)c(C)c1CCC(O)=O
Show InChI InChI=1S/C19H18N2O5/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19(25)26)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/b14-8-
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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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
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))
BDBM4920
PNG
(3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-
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n/an/a 70n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16736
PNG
(N-[2-(4-benzoylpiperazin-1-yl)-5-phenylphenyl]naph...)
Show SMILES O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C34H29N3O2/c38-33(30-17-9-15-26-12-7-8-16-29(26)30)35-31-24-28(25-10-3-1-4-11-25)18-19-32(31)36-20-22-37(23-21-36)34(39)27-13-5-2-6-14-27/h1-19,24H,20-23H2,(H,35,38)
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n/an/a 79n/an/an/an/a7.525



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16727
PNG
(N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phe...)
Show SMILES OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24BrN3O2/c24-18-8-9-22(27-12-10-26(11-13-27)14-15-28)21(16-18)25-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-9,16,28H,10-15H2,(H,25,29)
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Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4921
PNG
(3-(2-{[(3Z)-6-(2-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C27H26N2O4/c1-33-25-9-5-3-6-17(25)16-10-11-20-21(27(32)29-23(20)14-16)15-24-19(12-13-26(30)31)18-7-2-4-8-22(18)28-24/h3,5-6,9-11,14-15,28H,2,4,7-8,12-13H2,1H3,(H,29,32)(H,30,31)/b21-15-
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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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4884
PNG
(3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-y...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c1CCC(O)=O
Show InChI InChI=1S/C17H15BrN2O3/c1-9-8-19-15(11(9)3-5-16(21)22)7-13-12-6-10(18)2-4-14(12)20-17(13)23/h2,4,6-8,19H,3,5H2,1H3,(H,20,23)(H,21,22)/b13-7-
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n/an/a 80n/an/an/an/an/an/a



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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4906
PNG
((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)12-5-6-16-13(9-12)14(17(21)20-16)8-11-7-10-3-1-2-4-15(10)19-11/h5-9,19H,1-4H2,(H,20,21)(H2,18,22,23)/b14-8-
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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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16731
PNG
(Naphthyl Compound, 5b | ethyl 2-{4-[2-(naphthalene...)
Show SMILES CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C31H31N3O3/c1-2-37-30(35)22-33-17-19-34(20-18-33)29-16-15-25(23-9-4-3-5-10-23)21-28(29)32-31(36)27-14-8-12-24-11-6-7-13-26(24)27/h3-16,21H,2,17-20,22H2,1H3,(H,32,36)
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Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
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))
BDBM4914
PNG
(3-(2-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]m...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3ccccc23)[nH]c2CCCCc12
Show InChI InChI=1S/C20H20N2O3/c23-19(24)10-9-14-12-5-1-3-7-16(12)21-18(14)11-15-13-6-2-4-8-17(13)22-20(15)25/h2,4,6,8,11,21H,1,3,5,7,9-10H2,(H,22,25)(H,23,24)/b15-11-
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n/an/a 90n/an/an/an/a7.522



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
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))
BDBM4892
PNG
(3-(5-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
Show InChI InChI=1S/C24H22N2O4/c1-14-17(7-9-23(27)28)13-25-21(14)12-20-19-8-6-16(11-22(19)26-24(20)29)15-4-3-5-18(10-15)30-2/h3-6,8,10-13,25H,7,9H2,1-2H3,(H,26,29)(H,27,28)/b20-12-
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n/an/a 90n/an/an/an/a7.522



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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50180393
PNG
(CHEMBL205309 | tert-butyl 4-(4-bromo-2-(2-(7-metho...)
Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1
Show InChI InChI=1S/C27H30BrN3O6/c1-27(2,3)37-26(34)31-11-9-30(10-12-31)22-8-5-18(28)15-21(22)29-24(32)13-17-14-25(33)36-23-16-19(35-4)6-7-20(17)23/h5-8,14-16H,9-13H2,1-4H3,(H,29,32)
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n/an/a 93n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of BACE1 activity by FRET assay


Bioorg Med Chem Lett 16: 1995-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16732
PNG
(1-{4-(Phenyl)-2-[(naphthalene-1-carbonyl)-amino]-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C40H38N4O3/c45-38(33-19-11-15-30-14-5-6-16-32(30)33)41-36-28-31(29-12-3-1-4-13-29)20-21-37(36)43-26-24-42(25-27-43)22-9-2-10-23-44-39(46)34-17-7-8-18-35(34)40(44)47/h1,3-8,11-21,28H,2,9-10,22-27H2,(H,41,45)
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n/an/a 100n/an/an/an/a7.525



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4901
PNG
(3-(5-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1
Show InChI InChI=1S/C25H24N2O4/c1-14-19(9-10-24(28)29)15(2)26-22(14)13-21-20-8-7-17(12-23(20)27-25(21)30)16-5-4-6-18(11-16)31-3/h4-8,11-13,26H,9-10H2,1-3H3,(H,27,30)(H,28,29)/b21-13-
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n/an/a 100n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Histone Deacetylase (pfHDAC-1)


(Plasmodium falciparum (isolate 3D7))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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n/an/a 100n/an/an/an/an/an/a



Walter Reed Army Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum 3D7 histone deacetylase infected in human erythrocytes assessed as alteration of histone H3 acetylation after 3.5...


Antimicrob Agents Chemother 52: 3467-77 (2008)


Article DOI: 10.1128/AAC.00439-08
BindingDB Entry DOI: 10.7270/Q2W66M0G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4920
PNG
(3-(2-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
Show InChI InChI=1S/C27H26N2O4/c1-33-18-6-4-5-16(13-18)17-9-10-21-22(27(32)29-24(21)14-17)15-25-20(11-12-26(30)31)19-7-2-3-8-23(19)28-25/h4-6,9-10,13-15,28H,2-3,7-8,11-12H2,1H3,(H,29,32)(H,30,31)/b22-15-
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n/an/a 100n/an/an/an/an/an/a



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4919
PNG
(3-(2-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-...)
Show SMILES OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12
Show InChI InChI=1S/C26H24N2O3/c29-25(30)13-12-19-18-8-4-5-9-22(18)27-24(19)15-21-20-11-10-17(14-23(20)28-26(21)31)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,(H,28,31)(H,29,30)/b21-15-
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n/an/a 110n/an/an/an/an/an/a



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16730
PNG
(N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-phenylph...)
Show SMILES OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C29H29N3O2/c33-20-19-31-15-17-32(18-16-31)28-14-13-24(22-7-2-1-3-8-22)21-27(28)30-29(34)26-12-6-10-23-9-4-5-11-25(23)26/h1-14,21,33H,15-20H2,(H,30,34)
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n/an/a 110n/an/an/an/a7.525



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4907
PNG
((3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmeth...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H2,(H,20,21)(H,22,23)/b14-9-
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n/an/a 120n/an/an/an/an/an/a



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...


J Med Chem 43: 2655-63 (2000)


Article DOI: 10.1074/jbc.M512374200
BindingDB Entry DOI: 10.7270/Q2W66J0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Mus musculus)
BDBM50065303
PNG
(3-[1-(3-Ethyl-4,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z...)
Show SMILES CCc1c(C)c(C)[nH]c1\C=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H18N2O/c1-4-12-10(2)11(3)18-16(12)9-14-13-7-5-6-8-15(13)19-17(14)20/h5-9,18H,4H2,1-3H3,(H,19,20)/b14-9-
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n/an/a 140n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on murine VEGF receptor (FLK-1 RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4890
PNG
(3-(5-{[(3Z)-6-methoxy-2-oxo-2,3-dihydro-1H-indol-3...)
Show SMILES COc1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
Show InChI InChI=1S/C18H18N2O4/c1-10-11(3-6-17(21)22)9-19-15(10)8-14-13-5-4-12(24-2)7-16(13)20-18(14)23/h4-5,7-9,19H,3,6H2,1-2H3,(H,20,23)(H,21,22)/b14-8-
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n/an/a 140n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4887
PNG
(3-(4-methyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-...)
Show SMILES Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H16N2O3/c1-10-11(6-7-16(20)21)9-18-15(10)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
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n/an/a 140n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
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))
BDBM4900
PNG
(3-(2,4-dimethyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydr...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O
Show InChI InChI=1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)/b20-13-
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n/an/a 140n/an/an/an/an/an/a



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...


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM16749
PNG
(Coumarin Compound, 11c | N-[2-(4-benzylpiperazin-1...)
Show SMILES O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C33H29N3O3/c37-32(28-21-27-13-7-8-14-31(27)39-33(28)38)34-29-22-26(25-11-5-2-6-12-25)15-16-30(29)36-19-17-35(18-20-36)23-24-9-3-1-4-10-24/h1-16,21-22H,17-20,23H2,(H,34,37)
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n/an/a 151n/an/an/an/an/an/a



Universite de la Mediterranee



Assay Description
These experiments have been preformed using BACE-1 FRET assay kit (PanVera Corporation, Madison, WI), using a multiwell spectrofluorometer instrument...


J Med Chem 49: 4275-85 (2006)


Article DOI: 10.1021/jm0602864
BindingDB Entry DOI: 10.7270/Q2QN651G
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4891
PNG
(3-(4-methyl-5-{[(3Z)-2-oxo-6-phenyl-2,3-dihydro-1H...)
Show SMILES Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C23H20N2O3/c1-14-17(8-10-22(26)27)13-24-20(14)12-19-18-9-7-16(11-21(18)25-23(19)28)15-5-3-2-4-6-15/h2-7,9,11-13,24H,8,10H2,1H3,(H,25,28)(H,26,27)/b19-12-
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n/an/a 160n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4892
PNG
(3-(5-{[(3Z)-6-(3-methoxyphenyl)-2-oxo-2,3-dihydro-...)
Show SMILES COc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
Show InChI InChI=1S/C24H22N2O4/c1-14-17(7-9-23(27)28)13-25-21(14)12-20-19-8-6-16(11-22(19)26-24(20)29)15-4-3-5-18(10-15)30-2/h3-6,8,10-13,25H,7,9H2,1-2H3,(H,26,29)(H,27,28)/b20-12-
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n/an/a 170n/an/an/an/an/an/a



SUGEN, Inc.



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


J Med Chem 42: 5120-30 (1999)


Article DOI: 10.1006/jmbi.2001.4516
BindingDB Entry DOI: 10.7270/Q20Z71GM
More data for this
Ligand-Target Pair
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