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Compile Data Set for Download or QSAR

Found 424 hits with Last Name = 'delaney' and Initial = 'a'   
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))
BDBM6151
PNG
(1,6-naphthyridine 20 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C30H43N7O3/c1-30(2,3)35-29(38)34-28-25(21-15-23(39-5)18-24(16-21)40-6)17-22-20-32-27(19-26(22)33-28)31-9-7-8-10-37-13-11-36(4)12-14-37/h15-20H,7-14H2,1-6H3,(H,31,32)(H2,33,34,35,38)
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n/an/a 3n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6157
PNG
(1,6-naphthyridine 26 | 3-tert-butyl-1-(7-{[5-(diet...)
Show SMILES CCN(CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C30H44N6O3/c1-8-36(9-2)14-12-10-11-13-31-27-19-26-22(20-32-27)17-25(21-15-23(38-6)18-24(16-21)39-7)28(33-26)34-29(37)35-30(3,4)5/h15-20H,8-14H2,1-7H3,(H,31,32)(H2,33,34,35,37)
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n/an/a 4n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6148
PNG
(1,6-naphthyridine 17 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C29H41N7O3/c1-29(2,3)34-28(37)33-27-24(20-14-22(38-5)17-23(15-20)39-6)16-21-19-31-26(18-25(21)32-27)30-8-7-9-36-12-10-35(4)11-13-36/h14-19H,7-13H2,1-6H3,(H,30,31)(H2,32,33,34,37)
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n/an/a 5n/an/an/an/a7.822



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6178
PNG
(1,6-naphthyridine 75 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCO)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C24H31N5O4/c1-24(2,3)29-23(31)28-22-19(15-9-17(32-4)12-18(10-15)33-5)11-16-14-26-21(13-20(16)27-22)25-7-6-8-30/h9-14,30H,6-8H2,1-5H3,(H,25,26)(H2,27,28,29,31)
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n/an/a 5n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6180
PNG
(1,6-naphthyridine 77 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCO)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C26H35N5O4/c1-26(2,3)31-25(33)30-24-21(17-11-19(34-4)14-20(12-17)35-5)13-18-16-28-23(15-22(18)29-24)27-9-7-6-8-10-32/h11-16,32H,6-10H2,1-5H3,(H,27,28)(H2,29,30,31,33)
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n/an/a 6n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6150
PNG
(1,6-naphthyridine 19 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C29H40N6O4/c1-29(2,3)34-28(36)33-27-24(20-14-22(37-4)17-23(15-20)38-5)16-21-19-31-26(18-25(21)32-27)30-8-6-7-9-35-10-12-39-13-11-35/h14-19H,6-13H2,1-5H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 6n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6154
PNG
(1,6-naphthyridine 23 | 3-tert-butyl-1-(7-{[4-(diet...)
Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C29H42N6O3/c1-8-35(9-2)13-11-10-12-30-26-18-25-21(19-31-26)16-24(20-14-22(37-6)17-23(15-20)38-7)27(32-25)33-28(36)34-29(3,4)5/h14-19H,8-13H2,1-7H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 6n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6155
PNG
(1,6-naphthyridine 24 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C30H42N6O4/c1-30(2,3)35-29(37)34-28-25(21-15-23(38-4)18-24(16-21)39-5)17-22-20-32-27(19-26(22)33-28)31-9-7-6-8-10-36-11-13-40-14-12-36/h15-20H,6-14H2,1-5H3,(H,31,32)(H2,33,34,35,37)
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n/an/a 7n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6156
PNG
(1,6-naphthyridine 25 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C31H45N7O3/c1-31(2,3)36-30(39)35-29-26(22-16-24(40-5)19-25(17-22)41-6)18-23-21-33-28(20-27(23)34-29)32-10-8-7-9-11-38-14-12-37(4)13-15-38/h16-21H,7-15H2,1-6H3,(H,32,33)(H2,34,35,36,39)
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n/an/a 8n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6179
PNG
(1,6-naphthyridine 76 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCO)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N5O4/c1-25(2,3)30-24(32)29-23-20(16-10-18(33-4)13-19(11-16)34-5)12-17-15-27-22(14-21(17)28-23)26-8-6-7-9-31/h10-15,31H,6-9H2,1-5H3,(H,26,27)(H2,28,29,30,32)
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n/an/a 8n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM4618
PNG
(1,6-naphthyridine 14 | 1,6-naphthyridine deriv. 20...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38N6O4/c1-28(2,3)33-27(35)32-26-23(19-13-21(36-4)16-22(14-19)37-5)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-9-11-38-12-10-34/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,31,32,33,35)
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n/an/a 9n/an/an/an/a7.822



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50360603
PNG
(CHEMBL1933536)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
Show InChI InChI=1S/C24H25ClN4O/c25-17-5-6-20-16(11-17)12-21(27-20)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 using dextromethorphan as substrate


Bioorg Med Chem Lett 22: 190-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.036
BindingDB Entry DOI: 10.7270/Q2CF9QJS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6168
PNG
(1,6-naphthyridine 37 | 3-tert-butyl-1-[3-(2,6-dich...)
Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C27H36Cl2N6O/c1-6-35(7-2)14-9-8-13-30-23-16-22-18(17-31-23)15-19(24-20(28)11-10-12-21(24)29)25(32-22)33-26(36)34-27(3,4)5/h10-12,15-17H,6-9,13-14H2,1-5H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 14n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6165
PNG
(1,6-naphthyridine 34 | 3-tert-butyl-1-[3-(2,6-dich...)
Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)|
Show InChI InChI=1S/C27H35Cl2N7O/c1-27(2,3)34-26(37)33-25-19(24-20(28)7-5-8-21(24)29)15-18-17-31-23(16-22(18)32-25)30-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,30,31)(H2,32,33,34,37)
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n/an/a 14n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6167
PNG
(1,6-naphthyridine 36 | 1-[3-(2,6-dichlorophenyl)-7...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(2.55,-3.89,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.42,-.25,;-9.82,1.24,;-11.31,1.64,;-10.51,-1.34,;-12,-.94,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C25H32Cl2N6O/c1-4-28-25(34)32-24-18(23-19(26)10-9-11-20(23)27)14-17-16-30-22(15-21(17)31-24)29-12-7-8-13-33(5-2)6-3/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,29,30)(H2,28,31,32,34)
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n/an/a 14n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6149
PNG
(1,6-naphthyridine 18 | 3-tert-butyl-1-(7-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H40N6O3/c1-8-34(9-2)12-10-11-29-25-17-24-20(18-30-25)15-23(19-13-21(36-6)16-22(14-19)37-7)26(31-24)32-27(35)33-28(3,4)5/h13-18H,8-12H2,1-7H3,(H,29,30)(H2,31,32,33,35)
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n/an/a 15n/an/an/an/a7.822



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6188
PNG
(3-tert-butyl-1-[6-(3,5-dimethoxyphenyl)-2-{[3-(4-m...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)nc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C28H40N8O3/c1-28(2,3)34-27(37)33-25-23(19-14-21(38-5)17-22(15-19)39-6)16-20-18-30-26(32-24(20)31-25)29-8-7-9-36-12-10-35(4)11-13-36/h14-18H,7-13H2,1-6H3,(H3,29,30,31,32,33,34,37)
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n/an/a 19n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6164
PNG
(1,6-naphthyridine 33 | 1-[3-(2,6-dichlorophenyl)-7...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(2.8,-4.2,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.27,.12,;-10.6,-.65,;-10.6,-2.19,;-11.94,-2.96,;-9.27,-2.96,;-7.94,-2.19,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C25H31Cl2N7O/c1-3-28-25(35)32-24-18(23-19(26)6-4-7-20(23)27)14-17-16-30-22(15-21(17)31-24)29-8-5-9-34-12-10-33(2)11-13-34/h4,6-7,14-16H,3,5,8-13H2,1-2H3,(H,29,30)(H2,28,31,32,35)
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n/an/a 19n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6165
PNG
(1,6-naphthyridine 34 | 3-tert-butyl-1-[3-(2,6-dich...)
Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)|
Show InChI InChI=1S/C27H35Cl2N7O/c1-27(2,3)34-26(37)33-25-19(24-20(28)7-5-8-21(24)29)15-18-17-31-23(16-22(18)32-25)30-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,30,31)(H2,32,33,34,37)
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n/an/a 19n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6147
PNG
(1,6-naphthyridine 16 | 1-[3-(3,5-dimethoxyphenyl)-...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H37N7O3/c1-5-28-27(35)32-26-23(19-13-21(36-3)16-22(14-19)37-4)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-11-9-33(2)10-12-34/h13-18H,5-12H2,1-4H3,(H,29,30)(H2,28,31,32,35)
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n/an/a 21n/an/an/an/a7.425



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6188
PNG
(3-tert-butyl-1-[6-(3,5-dimethoxyphenyl)-2-{[3-(4-m...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)nc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C28H40N8O3/c1-28(2,3)34-27(37)33-25-23(19-14-21(38-5)17-22(15-19)39-6)16-20-18-30-26(32-24(20)31-25)29-8-7-9-36-12-10-35(4)11-13-36/h14-18H,7-13H2,1-6H3,(H3,29,30,31,32,33,34,37)
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n/an/a 21n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6151
PNG
(1,6-naphthyridine 20 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C30H43N7O3/c1-30(2,3)35-29(38)34-28-25(21-15-23(39-5)18-24(16-21)40-6)17-22-20-32-27(19-26(22)33-28)31-9-7-8-10-37-13-11-36(4)12-14-37/h15-20H,7-14H2,1-6H3,(H,31,32)(H2,33,34,35,38)
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n/an/a 24n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6148
PNG
(1,6-naphthyridine 17 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C29H41N7O3/c1-29(2,3)34-28(37)33-27-24(20-14-22(38-5)17-23(15-20)39-6)16-21-19-31-26(18-25(21)32-27)30-8-7-9-36-12-10-35(4)11-13-36/h14-19H,7-13H2,1-6H3,(H,30,31)(H2,32,33,34,37)
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n/an/a 24n/an/an/an/a7.425



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6153
PNG
(1,6-naphthyridine 22 | 1-(7-{[4-(diethylamino)buty...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H38N6O3/c1-6-28-27(34)32-26-23(19-13-21(35-4)16-22(14-19)36-5)15-20-18-30-25(17-24(20)31-26)29-11-9-10-12-33(7-2)8-3/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,28,31,32,34)
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n/an/a 24n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6168
PNG
(1,6-naphthyridine 37 | 3-tert-butyl-1-[3-(2,6-dich...)
Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C27H36Cl2N6O/c1-6-35(7-2)14-9-8-13-30-23-16-22-18(17-31-23)15-19(24-20(28)11-10-12-21(24)29)25(32-22)33-26(36)34-27(3,4)5/h10-12,15-17H,6-9,13-14H2,1-5H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 25n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6154
PNG
(1,6-naphthyridine 23 | 3-tert-butyl-1-(7-{[4-(diet...)
Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C29H42N6O3/c1-8-35(9-2)13-11-10-12-30-26-18-25-21(19-31-26)16-24(20-14-22(37-6)17-23(15-20)38-7)27(32-25)33-28(36)34-29(3,4)5/h14-19H,8-13H2,1-7H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 25n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6168
PNG
(1,6-naphthyridine 37 | 3-tert-butyl-1-[3-(2,6-dich...)
Show SMILES CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C27H36Cl2N6O/c1-6-35(7-2)14-9-8-13-30-23-16-22-18(17-31-23)15-19(24-20(28)11-10-12-21(24)29)25(32-22)33-26(36)34-27(3,4)5/h10-12,15-17H,6-9,13-14H2,1-5H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 25n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6165
PNG
(1,6-naphthyridine 34 | 3-tert-butyl-1-[3-(2,6-dich...)
Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)|
Show InChI InChI=1S/C27H35Cl2N7O/c1-27(2,3)34-26(37)33-25-19(24-20(28)7-5-8-21(24)29)15-18-17-31-23(16-22(18)32-25)30-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-17H,6,9-14H2,1-4H3,(H,30,31)(H2,32,33,34,37)
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n/an/a 26n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6190
PNG
(3-tert-butyl-1-(2-{[4-(diethylamino)butyl]amino}-6...)
Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
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n/an/a 28n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6157
PNG
(1,6-naphthyridine 26 | 3-tert-butyl-1-(7-{[5-(diet...)
Show SMILES CCN(CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C30H44N6O3/c1-8-36(9-2)14-12-10-11-13-31-27-19-26-22(20-32-27)17-25(21-15-23(38-6)18-24(16-21)39-7)28(33-26)34-29(37)35-30(3,4)5/h15-20H,8-14H2,1-7H3,(H,31,32)(H2,33,34,35,37)
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n/an/a 28n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6167
PNG
(1,6-naphthyridine 36 | 1-[3-(2,6-dichlorophenyl)-7...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(2.55,-3.89,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.42,-.25,;-9.82,1.24,;-11.31,1.64,;-10.51,-1.34,;-12,-.94,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C25H32Cl2N6O/c1-4-28-25(34)32-24-18(23-19(26)10-9-11-20(23)27)14-17-16-30-22(15-21(17)31-24)29-12-7-8-13-33(5-2)6-3/h9-11,14-16H,4-8,12-13H2,1-3H3,(H,29,30)(H2,28,31,32,34)
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n/an/a 29n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6150
PNG
(1,6-naphthyridine 19 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C29H40N6O4/c1-29(2,3)34-28(36)33-27-24(20-14-22(37-4)17-23(15-20)38-5)16-21-19-31-26(18-25(21)32-27)30-8-6-7-9-35-10-12-39-13-11-35/h14-19H,6-13H2,1-5H3,(H,30,31)(H2,32,33,34,36)
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n/an/a 30n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM4618
PNG
(1,6-naphthyridine 14 | 1,6-naphthyridine deriv. 20...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C28H38N6O4/c1-28(2,3)33-27(35)32-26-23(19-13-21(36-4)16-22(14-19)37-5)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-9-11-38-12-10-34/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,31,32,33,35)
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n/an/a 31n/an/an/an/a7.425



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6164
PNG
(1,6-naphthyridine 33 | 1-[3-(2,6-dichlorophenyl)-7...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(2.8,-4.2,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.27,.12,;-10.6,-.65,;-10.6,-2.19,;-11.94,-2.96,;-9.27,-2.96,;-7.94,-2.19,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C25H31Cl2N7O/c1-3-28-25(35)32-24-18(23-19(26)6-4-7-20(23)27)14-17-16-30-22(15-21(17)31-24)29-8-5-9-34-12-10-33(2)11-13-34/h4,6-7,14-16H,3,5,8-13H2,1-2H3,(H,29,30)(H2,28,31,32,35)
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n/an/a 32n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6155
PNG
(1,6-naphthyridine 24 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C30H42N6O4/c1-30(2,3)35-29(37)34-28-25(21-15-23(38-4)18-24(16-21)39-5)17-22-20-32-27(19-26(22)33-28)31-9-7-6-8-10-36-11-13-40-14-12-36/h15-20H,6-14H2,1-5H3,(H,31,32)(H2,33,34,35,37)
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n/an/a 33n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6187
PNG
(1-[6-(3,5-dimethoxyphenyl)-2-{[3-(4-methylpiperazi...)
Show SMILES CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H36N8O3/c1-5-27-26(35)32-24-22(18-13-20(36-3)16-21(14-18)37-4)15-19-17-29-25(31-23(19)30-24)28-7-6-8-34-11-9-33(2)10-12-34/h13-17H,5-12H2,1-4H3,(H3,27,28,29,30,31,32,35)
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n/an/a 33n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6189
PNG
(1-(2-{[4-(diethylamino)butyl]amino}-6-(3,5-dimetho...)
Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H37N7O3/c1-6-27-26(34)32-24-22(18-13-20(35-4)16-21(14-18)36-5)15-19-17-29-25(31-23(19)30-24)28-11-9-10-12-33(7-2)8-3/h13-17H,6-12H2,1-5H3,(H3,27,28,29,30,31,32,34)
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n/an/a 35n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50425842
PNG
(CHEMBL2312292)
Show SMILES COc1cc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)ccc1O
Show InChI InChI=1S/C26H36N6O4/c1-36-22-16-18(9-10-21(22)33)11-13-28-26-29-17-20(24(31-26)30-19-6-2-3-7-19)25(35)27-12-5-15-32-14-4-8-23(32)34/h9-10,16-17,19,33H,2-8,11-15H2,1H3,(H,27,35)(H2,28,29,30,31)
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Sky (unknown origin) in presence of 60 uM ATP by ELISA


Bioorg Med Chem Lett 23: 1046-50 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.013
BindingDB Entry DOI: 10.7270/Q26D5V9W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50425844
PNG
(CHEMBL2312318)
Show SMILES COc1cccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
Show InChI InChI=1S/C26H36N6O3/c1-35-21-10-4-7-19(17-21)12-14-28-26-29-18-22(24(31-26)30-20-8-2-3-9-20)25(34)27-13-6-16-32-15-5-11-23(32)33/h4,7,10,17-18,20H,2-3,5-6,8-9,11-16H2,1H3,(H,27,34)(H2,28,29,30,31)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Sky (unknown origin) in presence of 60 uM ATP by ELISA


Bioorg Med Chem Lett 23: 1046-50 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.013
BindingDB Entry DOI: 10.7270/Q26D5V9W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6191
PNG
(3-tert-butyl-1-[6-(3,5-dimethoxyphenyl)-2-[(3-hydr...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCO)nc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C23H30N6O4/c1-23(2,3)29-22(31)28-20-18(14-9-16(32-4)12-17(10-14)33-5)11-15-13-25-21(24-7-6-8-30)27-19(15)26-20/h9-13,30H,6-8H2,1-5H3,(H3,24,25,26,27,28,29,31)
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n/an/a 38n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6166
PNG
(1,6-naphthyridine 35 | 3-(2,6-Dichlorophenyl)-N7-[...)
Show SMILES CCN(CC)CCCCNc1cc2nc(N)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
Show InChI InChI=1S/C22H27Cl2N5/c1-3-29(4-2)11-6-5-10-26-20-13-19-15(14-27-20)12-16(22(25)28-19)21-17(23)8-7-9-18(21)24/h7-9,12-14H,3-6,10-11H2,1-2H3,(H2,25,28)(H,26,27)
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n/an/a 42n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6146
PNG
(1,6-naphthyridine 15 | 3-(3,5-Dimethoxyphenyl)-N7-...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1N
Show InChI InChI=1S/C24H32N6O2/c1-29-7-9-30(10-8-29)6-4-5-26-23-15-22-18(16-27-23)13-21(24(25)28-22)17-11-19(31-2)14-20(12-17)32-3/h11-16H,4-10H2,1-3H3,(H2,25,28)(H,26,27)
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n/an/a 44n/an/an/an/a7.425



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6153
PNG
(1,6-naphthyridine 22 | 1-(7-{[4-(diethylamino)buty...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H38N6O3/c1-6-28-27(34)32-26-23(19-13-21(35-4)16-22(14-19)36-5)15-20-18-30-25(17-24(20)31-26)29-11-9-10-12-33(7-2)8-3/h13-18H,6-12H2,1-5H3,(H,29,30)(H2,28,31,32,34)
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n/an/a 46n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6178
PNG
(1,6-naphthyridine 75 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCO)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C24H31N5O4/c1-24(2,3)29-23(31)28-22-19(15-9-17(32-4)12-18(10-15)33-5)11-16-14-26-21(13-20(16)27-22)25-7-6-8-30/h9-14,30H,6-8H2,1-5H3,(H,25,26)(H2,27,28,29,31)
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n/an/a 49n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6147
PNG
(1,6-naphthyridine 16 | 1-[3-(3,5-dimethoxyphenyl)-...)
Show SMILES CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C27H37N7O3/c1-5-28-27(35)32-26-23(19-13-21(36-3)16-22(14-19)37-4)15-20-18-30-25(17-24(20)31-26)29-7-6-8-34-11-9-33(2)10-12-34/h13-18H,5-12H2,1-4H3,(H,29,30)(H2,28,31,32,35)
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n/an/a 51n/an/an/an/a7.822



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6179
PNG
(1,6-naphthyridine 76 | 3-tert-butyl-1-[3-(3,5-dime...)
Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCO)cc2nc1NC(=O)NC(C)(C)C
Show InChI InChI=1S/C25H33N5O4/c1-25(2,3)30-24(32)29-23-20(16-10-18(33-4)13-19(11-16)34-5)12-17-15-27-22(14-21(17)28-23)26-8-6-7-9-31/h10-15,31H,6-9H2,1-5H3,(H,26,27)(H2,28,29,30,32)
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n/an/a 52n/an/an/an/an/an/a



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
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))
BDBM6159
PNG
(1,6-naphthyridine 28 | 3-tert-butyl-1-(7-{[3-(4-me...)
Show SMILES CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2ccccc2)CC1
Show InChI InChI=1S/C27H37N7O/c1-27(2,3)32-26(35)31-25-22(20-9-6-5-7-10-20)17-21-19-29-24(18-23(21)30-25)28-11-8-12-34-15-13-33(4)14-16-34/h5-7,9-10,17-19H,8,11-16H2,1-4H3,(H,28,29)(H2,30,31,32,35)
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n/an/a 54n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM6149
PNG
(1,6-naphthyridine 18 | 3-tert-butyl-1-(7-{[3-(diet...)
Show SMILES CCN(CC)CCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C28H40N6O3/c1-8-34(9-2)12-10-11-29-25-17-24-20(18-30-25)15-23(19-13-21(36-6)16-22(14-19)37-7)26(31-24)32-27(35)33-28(3,4)5/h13-18H,8-12H2,1-7H3,(H,29,30)(H2,31,32,33,35)
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n/an/a 60n/an/an/an/a7.425



University of Auckland



Assay Description
Compounds were evaluated for their ability to prevent phosphorylation of a model glutamate-tyrosine copolymer substrate by isolated human FGFR-1, mou...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50425832
PNG
(CHEMBL2312290)
Show SMILES COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
Show InChI InChI=1S/C27H38N6O4/c1-36-22-11-10-19(17-23(22)37-2)12-14-29-27-30-18-21(25(32-27)31-20-7-3-4-8-20)26(35)28-13-6-16-33-15-5-9-24(33)34/h10-11,17-18,20H,3-9,12-16H2,1-2H3,(H,28,35)(H2,29,30,31,32)
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n/an/a 61n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 23: 1046-50 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.013
BindingDB Entry DOI: 10.7270/Q26D5V9W
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))
BDBM6187
PNG
(1-[6-(3,5-dimethoxyphenyl)-2-{[3-(4-methylpiperazi...)
Show SMILES CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H36N8O3/c1-5-27-26(35)32-24-22(18-13-20(36-3)16-21(14-18)37-4)15-19-17-29-25(31-23(19)30-24)28-7-6-8-34-11-9-33(2)10-12-34/h13-17H,5-12H2,1-4H3,(H3,27,28,29,30,31,32,35)
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n/an/a 62n/an/an/an/an/an/a



University of Auckland



Assay Description
Tha assay was using human VEGFR-2 in DELFIA (dissociation-enhanced lanthanide fluoroimmunoassay) format. IC50 is the concentration of inhibitor that ...


J Med Chem 48: 4628-53 (2005)


Article DOI: 10.1021/jm0500931
BindingDB Entry DOI: 10.7270/Q2DV1H3W
More data for this
Ligand-Target Pair
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