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Compile Data Set for Download or QSAR

Found 614 hits with Last Name = 'discafani' and Initial = 'c'   
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
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation in LoVo cells


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
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))
BDBM50002445
PNG
(CHEMBL2113171)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC |t:13,23|
Show InChI InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4560
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31i |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-34-23-13-22(19(27)11-20(23)28)31-26-16(14-29)15-30-21-12-25(24(35-2)10-18(21)26)36-9-3-6-32-7-4-17(33)5-8-32/h10-13,15,17,33H,3-9H2,1-2H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4557
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31f |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H31Cl2N5O4/c1-36-24-15-23(20(28)13-21(24)29)32-27-18(16-30)17-31-22-14-26(25(37-2)12-19(22)27)38-11-3-4-33-5-7-34(8-6-33)9-10-35/h12-15,17,35H,3-11H2,1-2H3,(H,31,32)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4553
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31b |...)
Show SMILES CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
Show InChI InChI=1S/C27H31Cl2N5O3/c1-4-33-7-9-34(10-8-33)6-5-11-37-26-14-22-19(12-25(26)36-3)27(18(16-30)17-31-22)32-23-15-24(35-2)21(29)13-20(23)28/h12-15,17H,4-11H2,1-3H3,(H,31,32)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4543
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2c | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H26Cl2N4O4/c1-32-22-13-21(18(26)11-19(22)27)30-25-16(14-28)15-29-20-12-24(23(33-2)10-17(20)25)35-7-3-4-31-5-8-34-9-6-31/h10-13,15H,3-9H2,1-2H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50002593
PNG
(CHEMBL2113187)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4cccc(F)c4)=CC3=O)c2cc1OC |c:26,t:13|
Show InChI InChI=1S/C24H20FN3O6/c1-31-6-7-33-23-11-17-16(9-22(23)32-2)24(27-13-26-17)28-18-10-20(30)21(12-19(18)29)34-15-5-3-4-14(25)8-15/h3-5,8-13H,6-7H2,1-2H3,(H,26,27,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4544
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2d | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Br)cc1Cl
Show InChI InChI=1S/C25H26BrClN4O4/c1-32-22-13-21(18(26)11-19(22)27)30-25-16(14-28)15-29-20-12-24(23(33-2)10-17(20)25)35-7-3-4-31-5-8-34-9-6-31/h10-13,15H,3-9H2,1-2H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50177852
PNG
(3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28|
Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50002446
PNG
(CHEMBL2113172)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19|
Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50002446
PNG
(CHEMBL2113172)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19|
Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50177827
PNG
(3-Chloro-2-[(3-fluorobenzyl)oxy]-5-{[6-methoxy-7-(...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCc4cccc(F)c4)=C(Cl)C3=O)c2cc1OC |w:12.11,t:27|
Show InChI InChI=1S/C25H21ClFN3O6/c1-33-6-7-35-21-11-17-16(9-20(21)34-2)25(29-13-28-17)30-18-10-19(31)24(22(26)23(18)32)36-12-14-4-3-5-15(27)8-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132262
PNG
(4-[3-Chloro-4-(1,5-dimethyl-1H-imidazol-2-ylsulfan...)
Show SMILES COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C29H31ClN6O3S/c1-19-17-33-29(35(19)2)40-27-6-5-21(13-23(27)30)34-28-20(16-31)18-32-24-15-26(25(37-3)14-22(24)28)39-10-4-7-36-8-11-38-12-9-36/h5-6,13-15,17-18H,4,7-12H2,1-3H3,(H,32,34)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4555
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31d |...)
Show SMILES CCCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
Show InChI InChI=1S/C28H33Cl2N5O3/c1-4-6-34-8-10-35(11-9-34)7-5-12-38-27-15-23-20(13-26(27)37-3)28(19(17-31)18-32-23)33-24-16-25(36-2)22(30)14-21(24)29/h13-16,18H,4-12H2,1-3H3,(H,32,33)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4547
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2g | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C26H29ClN4O4/c1-17-11-20(27)22(14-23(17)32-2)30-26-18(15-28)16-29-21-13-25(24(33-3)12-19(21)26)35-8-4-5-31-6-9-34-10-7-31/h11-14,16H,4-10H2,1-3H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4556
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31e |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H27Cl2N5O3/c1-33-22-13-21(18(26)11-19(22)27)31-25-16(14-28)15-30-20-12-24(23(34-2)10-17(20)25)35-9-3-6-32-7-4-29-5-8-32/h10-13,15,29H,3-9H2,1-2H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4545
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2e | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(C)cc1Cl
Show InChI InChI=1S/C26H29ClN4O4/c1-17-11-20(27)23(32-2)13-21(17)30-26-18(15-28)16-29-22-14-25(24(33-3)12-19(22)26)35-8-4-5-31-6-9-34-10-7-31/h11-14,16H,4-10H2,1-3H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4559
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31h |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O3/c1-33-23-14-22(19(27)12-20(23)28)31-26-17(15-29)16-30-21-13-25(24(34-2)11-18(21)26)35-10-6-9-32-7-4-3-5-8-32/h11-14,16H,3-10H2,1-2H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4550
PNG
(4-Phenylamino 3-quinolinecarbonitrile deriv. 27 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O4/c1-33-23-14-22(19(27)12-20(23)28)31-26-17(15-29)16-30-21-13-25(24(34-2)11-18(21)26)36-8-4-3-5-32-6-9-35-10-7-32/h11-14,16H,3-10H2,1-2H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4554
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31c |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4C[C@H](C)N(C)[C@H](C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl |r|
Show InChI InChI=1S/C28H33Cl2N5O3/c1-17-15-35(16-18(2)34(17)3)7-6-8-38-27-11-23-20(9-26(27)37-5)28(19(13-31)14-32-23)33-24-12-25(36-4)22(30)10-21(24)29/h9-12,14,17-18H,6-8,15-16H2,1-5H3,(H,32,33)/t17-,18+
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4558
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31g |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H31Cl2N5O3/c1-33-6-4-7-34(10-9-33)8-5-11-37-26-14-22-19(12-25(26)36-3)27(18(16-30)17-31-22)32-23-15-24(35-2)21(29)13-20(23)28/h12-15,17H,4-11H2,1-3H3,(H,31,32)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4542
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2b | ...)
Show SMILES COc1ccc(Cl)c(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c1
Show InChI InChI=1S/C25H27ClN4O4/c1-31-18-4-5-20(26)22(12-18)29-25-17(15-27)16-28-21-14-24(23(32-2)13-19(21)25)34-9-3-6-30-7-10-33-11-8-30/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,28,29)
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n/an/a 1.60n/an/an/an/a7.530



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50177836
PNG
(2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCCOc4ccccc4)=CC3=O)c2cc1OC |w:12.11,c:28|
Show InChI InChI=1S/C26H25N3O7/c1-32-8-9-36-25-14-19-18(12-24(25)33-2)26(28-16-27-19)29-20-13-22(31)23(15-21(20)30)35-11-10-34-17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50177829
PNG
(2-Chloro-3-methoxy-5-{[6-methoxy-7-(2-methoxyethox...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC)C3=O)c2cc1OC |w:12.11,t:18|
Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)16(20)18(28-3)17(12)25/h6,8-9H,4-5,7H2,1-3H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4546
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 2f | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(C)cc1C
Show InChI InChI=1S/C27H32N4O4/c1-18-12-19(2)24(32-3)14-22(18)30-27-20(16-28)17-29-23-15-26(25(33-4)13-21(23)27)35-9-5-6-31-7-10-34-11-8-31/h12-15,17H,5-11H2,1-4H3,(H,29,30)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50177848
PNG
(2-Chloro-3-isopropoxy-5-{[6-methoxy-7-(2-methoxyet...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC(C)C)C3=O)c2cc1OC |w:12.11,t:18|
Show InChI InChI=1S/C21H22ClN3O6/c1-11(2)31-20-18(22)15(26)8-14(19(20)27)25-21-12-7-16(29-4)17(30-6-5-28-3)9-13(12)23-10-24-21/h7,9-11H,5-6,8H2,1-4H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4562
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31k |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCn4ccnn4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C23H20Cl2N6O3/c1-32-20-11-19(16(24)9-17(20)25)29-23-14(12-26)13-27-18-10-22(21(33-2)8-15(18)23)34-7-3-5-31-6-4-28-30-31/h4,6,8-11,13H,3,5,7H2,1-2H3,(H,27,29)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4582
PNG
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)
Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)
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Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132260
PNG
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132264
PNG
(4-[3-Chloro-4-(1,4,5-trimethyl-1H-imidazol-2-ylsul...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H33ClN6O3S/c1-19-20(2)36(3)30(34-19)41-28-7-6-22(14-24(28)31)35-29-21(17-32)18-33-25-16-27(26(38-4)15-23(25)29)40-11-5-8-37-9-12-39-13-10-37/h6-7,14-16,18H,5,8-13H2,1-4H3,(H,33,35)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132266
PNG
(4-[3-Bromo-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-p...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Br)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29BrN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50132261
PNG
(4-[3-Chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCS(=O)CC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S2/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(37-2)15-21(23)27)38-11-3-7-35-9-12-40(36)13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Mitogen activated protein kinase kinase kinase 1 was determined using Raf/MEK1 coupled assay


Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM28123
PNG
(3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...)
Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)
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Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 3031-4 (2003)


BindingDB Entry DOI: 10.7270/Q2P84B8T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 2n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4563
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31l |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCn4ccnc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H21Cl2N5O3/c1-32-21-11-20(17(25)9-18(21)26)30-24-15(12-27)13-29-19-10-23(22(33-2)8-16(19)24)34-7-3-5-31-6-4-28-14-31/h4,6,8-11,13-14H,3,5,7H2,1-2H3,(H,29,30)
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n/an/a 2.10n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50002578
PNG
(CHEMBL2113199)
Show SMILES COc1cc2c(NC3=CC(=O)C(OCc4ccccn4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:20,t:7|
Show InChI InChI=1S/C28H29N5O5/c1-36-26-13-20-21(15-27(26)37-12-6-11-33-9-4-5-10-33)30-18-31-28(20)32-22-14-24(35)25(16-23(22)34)38-17-19-7-2-3-8-29-19/h2-3,7-8,13-16,18H,4-6,9-12,17H2,1H3,(H,30,31,32)
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n/an/a 2.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50002585
PNG
(CHEMBL2113191)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18|
Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4549
PNG
(4-Phenylamino 3-quinolinecarbonitrile deriv. 26 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H24Cl2N4O4/c1-31-21-12-20(17(25)10-18(21)26)29-24-15(13-27)14-28-19-11-23(22(32-2)9-16(19)24)34-8-5-30-3-6-33-7-4-30/h9-12,14H,3-8H2,1-2H3,(H,28,29)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4565
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 31n |...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN(C)CCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H31Cl2N5O3/c1-32(2)8-9-33(3)7-6-10-36-25-13-21-18(11-24(25)35-5)26(17(15-29)16-30-21)31-22-14-23(34-4)20(28)12-19(22)27/h11-14,16H,6-10H2,1-5H3,(H,30,31)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50002579
PNG
(CHEMBL2113164)
Show SMILES COc1cc2c(NC3=CC(=O)C(OCC(F)F)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:16,t:7|
Show InChI InChI=1S/C24H26F2N4O5/c1-33-21-9-15-16(11-22(21)34-8-4-7-30-5-2-3-6-30)27-14-28-24(15)29-17-10-19(32)20(12-18(17)31)35-13-23(25)26/h9-12,14,23H,2-8,13H2,1H3,(H,27,28,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4551
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 28 | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H30Cl2N4O4/c1-34-24-15-23(20(28)13-21(24)29)32-27-18(16-30)17-31-22-14-26(25(35-2)12-19(22)27)37-9-5-3-4-6-33-7-10-36-11-8-33/h12-15,17H,3-11H2,1-2H3,(H,31,32)
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n/an/a 2.5n/an/an/an/an/an/a



Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
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))
BDBM50177850
PNG
(2-[3-(Ethylamino)phenoxy]-5-{[6-methoxy-7-(2-metho...)
Show SMILES CCNc1cccc(OC2=CC(=O)C(Nc3ncnc4cc(OCCOC)c(OC)cc34)=CC2=O)c1 |c:33,t:9|
Show InChI InChI=1S/C26H26N4O6/c1-4-27-16-6-5-7-17(10-16)36-23-14-21(31)20(12-22(23)32)30-26-18-11-24(34-3)25(35-9-8-33-2)13-19(18)28-15-29-26/h5-7,10-15,27H,4,8-9H2,1-3H3,(H,28,29,30)
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
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))
BDBM50002439
PNG
(CHEMBL2113174)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccccc4)=CC3=O)c2cc1OC |c:25,t:13|
Show InChI InChI=1S/C24H21N3O6/c1-30-8-9-32-23-12-17-16(10-22(23)31-2)24(26-14-25-17)27-18-11-20(29)21(13-19(18)28)33-15-6-4-3-5-7-15/h3-7,10-14H,8-9H2,1-2H3,(H,25,26,27)
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4534
PNG
(4-Phenylamino-3-quinolinecarbonitrile deriv. 1l | ...)
Show SMILES COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(Cl)cc1C
Show InChI InChI=1S/C20H18ClN3O3/c1-11-5-14(21)16(8-17(11)25-2)24-20-12(9-22)10-23-15-7-19(27-4)18(26-3)6-13(15)20/h5-8,10H,1-4H3,(H,23,24)
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Wyeth-Ayerst Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


J Med Chem 44: 3965-77 (2001)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2TD9VHP
More data for this
Ligand-Target Pair
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