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Compile Data Set for Download or QSAR

Found 45 hits from East China University of Science and Technology   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345462
PNG
(Allyl 8-Oxo-8H-acenaphtho[1,2-b]pyrrole-9-carboxyl...)
Show SMILES C=CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C18H11NO3/c1-2-9-22-18(21)15-14-11-7-3-5-10-6-4-8-12(13(10)11)16(14)19-17(15)20/h2-8H,1,9H2
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n/an/a 19n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345463
PNG
(2-Oxo-2-(propylthio)ethyl 8-Oxo-8H-acenaphtho[1,2-...)
Show SMILES CCCSC(=O)COC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C20H15NO4S/c1-2-9-26-14(22)10-25-20(24)17-16-12-7-3-5-11-6-4-8-13(15(11)12)18(16)21-19(17)23/h3-8H,2,9-10H2,1H3
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n/an/a 65n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a 74n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345464
PNG
(2-Oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl 8-Oxo-...)
Show SMILES FC(F)(F)C(F)(F)COC(=O)COC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C20H10F5NO5/c21-19(22,20(23,24)25)8-31-12(27)7-30-18(29)15-14-10-5-1-3-9-4-2-6-11(13(9)10)16(14)26-17(15)28/h1-6H,7-8H2
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n/an/a 77n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345466
PNG
(Allyl 3-(Allylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrr...)
Show SMILES C=CCOC(=O)c1c2c3ccc(SCC=C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C21H15NO3S/c1-3-10-25-21(24)18-17-13-8-9-15(26-11-4-2)12-6-5-7-14(16(12)13)19(17)22-20(18)23/h3-9H,1-2,10-11H2
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n/an/a 216n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345458
PNG
(CHEMBL1784730 | Ethyl 3-(2-Hydroxyethylthio)-8-oxo...)
Show SMILES CCOC(=O)c1c2c3ccc(SCCO)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C19H15NO4S/c1-2-24-19(23)16-15-11-6-7-13(25-9-8-21)10-4-3-5-12(14(10)11)17(15)20-18(16)22/h3-7,21H,2,8-9H2,1H3
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n/an/a 320n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
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 334n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345470
PNG
(2-Oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl 3-(All...)
Show SMILES FC(F)(F)C(F)(F)COC(=O)COC(=O)c1c2c3ccc(SCC=C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H14F5NO5S/c1-2-8-35-14-7-6-12-16-11(14)4-3-5-13(16)19-17(12)18(20(31)29-19)21(32)33-9-15(30)34-10-22(24,25)23(26,27)28/h2-7H,1,8-10H2
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n/an/a 424n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345455
PNG
(CHEMBL1784727 | Ethyl 3-(Allylthio)-8-oxo-8H-acena...)
Show SMILES CCOC(=O)c1c2c3ccc(SCC=C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C20H15NO3S/c1-3-10-25-14-9-8-12-15-11(14)6-5-7-13(15)18-16(12)17(19(22)21-18)20(23)24-4-2/h3,5-9H,1,4,10H2,2H3
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n/an/a 485n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345468
PNG
(2-Oxo-2-(propylthio)ethyl 3-(Allylthio)-8-oxo-8H-a...)
Show SMILES CCCSC(=O)COC(=O)c1c2c3ccc(SCC=C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H19NO4S2/c1-3-10-29-16-9-8-14-18-13(16)6-5-7-15(18)21-19(14)20(22(26)24-21)23(27)28-12-17(25)30-11-4-2/h3,5-9H,1,4,10-12H2,2H3
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n/an/a 577n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345457
PNG
(CHEMBL1784729 | Ethyl 8-Oxo-3-(2-(pyrazin-2-yl)eth...)
Show SMILES CCOC(=O)c1c2c3ccc(SCCc4cnccn4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H17N3O3S/c1-2-29-23(28)20-19-15-6-7-17(30-11-8-13-12-24-9-10-25-13)14-4-3-5-16(18(14)15)21(19)26-22(20)27/h3-7,9-10,12H,2,8,11H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 using poly(Glu-Tyr)4:1 as substrate measured after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345452
PNG
(3-(1-(5-Methyl-1,3-oxathiolan-5-yl)ethylthio)-8-ox...)
Show SMILES CC(Sc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23)C1(C)CSCO1
Show InChI InChI=1S/C21H16N2O2S2/c1-11(21(2)9-26-10-25-21)27-16-7-6-13-17-12(16)4-3-5-14(17)19-18(13)15(8-22)20(24)23-19/h3-7,11H,9-10H2,1-2H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345445
PNG
(8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile |...)
Show SMILES O=c1nc2c3cccc4cccc(c2c1C#N)c34
Show InChI InChI=1S/C15H6N2O/c16-7-11-13-9-5-1-3-8-4-2-6-10(12(8)9)14(13)17-15(11)18/h1-6H
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n/an/a 4.50E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR3 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EphB2 expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Met expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of IGF1R expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345446
PNG
(8-Oxo-3-(propylthio)-8H-acenaphtho[1,2-b]pyrrole-9...)
Show SMILES CCCSc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C18H12N2OS/c1-2-8-22-14-7-6-11-15-10(14)4-3-5-12(15)17-16(11)13(9-19)18(21)20-17/h3-7H,2,8H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345447
PNG
(3-(Allylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-...)
Show SMILES C=CCSc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C18H10N2OS/c1-2-8-22-14-7-6-11-15-10(14)4-3-5-12(15)17-16(11)13(9-19)18(21)20-17/h2-7H,1,8H2
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345448
PNG
(3-(Isopropylthio)-8-oxo-8H-acenaphtho[1,2-b]pyrrol...)
Show SMILES CC(C)Sc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C18H12N2OS/c1-9(2)22-14-7-6-11-15-10(14)4-3-5-12(15)17-16(11)13(8-19)18(21)20-17/h3-7,9H,1-2H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345449
PNG
(8-Oxo-3-(2-(pyrazin-2-yl)ethylthio)-8H-acenaphtho[...)
Show SMILES O=c1nc2c3cccc4c(SCCc5cnccn5)ccc(c2c1C#N)c34
Show InChI InChI=1S/C21H12N4OS/c22-10-16-19-14-4-5-17(27-9-6-12-11-23-7-8-24-12)13-2-1-3-15(18(13)14)20(19)25-21(16)26/h1-5,7-8,11H,6,9H2
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345450
PNG
(3-(2-Hydroxyethylthio)-8-oxo-8H-acenaphtho[1,2-b]p...)
Show SMILES OCCSc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C17H10N2O2S/c18-8-12-15-10-4-5-13(22-7-6-20)9-2-1-3-11(14(9)10)16(15)19-17(12)21/h1-5,20H,6-7H2
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345451
PNG
(3-(2-Methyltetrahydrofuran-3-ylthio)-8-oxo-8H-acen...)
Show SMILES CC1OCCC1Sc1ccc2c3c(C#N)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C20H14N2O2S/c1-10-15(7-8-24-10)25-16-6-5-12-17-11(16)3-2-4-13(17)19-18(12)14(9-21)20(23)22-19/h2-6,10,15H,7-8H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345453
PNG
(8-Oxo-3-(2-(thiazolidin-3-yl)ethylthio)-8H-acenaph...)
Show SMILES O=c1nc2c3cccc4c(SCCN5CCSC5)ccc(c2c1C#N)c34
Show InChI InChI=1S/C20H15N3OS2/c21-10-15-18-13-4-5-16(26-9-7-23-6-8-25-11-23)12-2-1-3-14(17(12)13)19(18)22-20(15)24/h1-5H,6-9,11H2
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345454
PNG
(CHEMBL1784726 | Ethyl 8-Oxo-3-(propylthio)-8H-acen...)
Show SMILES CCCSc1ccc2c3c(C(=O)OCC)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C20H17NO3S/c1-3-10-25-14-9-8-12-15-11(14)6-5-7-13(15)18-16(12)17(19(22)21-18)20(23)24-4-2/h5-9H,3-4,10H2,1-2H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345456
PNG
(CHEMBL1784728 | Ethyl 3-(Isopropylthio)-8-oxo-8H-a...)
Show SMILES CCOC(=O)c1c2c3ccc(SC(C)C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C20H17NO3S/c1-4-24-20(23)17-16-12-8-9-14(25-10(2)3)11-6-5-7-13(15(11)12)18(16)21-19(17)22/h5-10H,4H2,1-3H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345459
PNG
(CHEMBL1784731 | Ethyl 3-(2-Methyltetrahydrofuran-3...)
Show SMILES CCOC(=O)c1c2c3ccc(SC4CCOC4C)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C22H19NO4S/c1-3-26-22(25)19-18-13-7-8-16(28-15-9-10-27-11(15)2)12-5-4-6-14(17(12)13)20(18)23-21(19)24/h4-8,11,15H,3,9-10H2,1-2H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345460
PNG
(CHEMBL1784732 | Ethyl 3-(1-(5-Methyl-1,3-oxathiola...)
Show SMILES CCOC(=O)c1c2c3ccc(SC(C)C4(C)CSCO4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H21NO4S2/c1-4-27-22(26)19-18-14-8-9-16(30-12(2)23(3)10-29-11-28-23)13-6-5-7-15(17(13)14)20(18)24-21(19)25/h5-9,12H,4,10-11H2,1-3H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345461
PNG
(CHEMBL1784733 | Ethyl 8-Oxo-3-(2-(thiazolidin-3-yl...)
Show SMILES CCOC(=O)c1c2c3ccc(SCCN4CCSC4)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C22H20N2O3S2/c1-2-27-22(26)19-18-14-6-7-16(29-11-9-24-8-10-28-12-24)13-4-3-5-15(17(13)14)20(18)23-21(19)25/h3-7H,2,8-12H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345465
PNG
(Allyl 8-Oxo-3-(propylthio)-8H-acenaphtho[1,2-b]pyr...)
Show SMILES CCCSc1ccc2c3c(C(=O)OCC=C)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C21H17NO3S/c1-3-10-25-21(24)18-17-13-8-9-15(26-11-4-2)12-6-5-7-14(16(12)13)19(17)22-20(18)23/h3,5-9H,1,4,10-11H2,2H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345467
PNG
(2-Oxo-2-(propylthio)ethyl 8-Oxo-3-(propylthio)-8H-...)
Show SMILES CCCSC(=O)COC(=O)c1c2c3ccc(SCCC)c4cccc(c2nc1=O)c34
Show InChI InChI=1S/C23H21NO4S2/c1-3-10-29-16-9-8-14-18-13(16)6-5-7-15(18)21-19(14)20(22(26)24-21)23(27)28-12-17(25)30-11-4-2/h5-9H,3-4,10-12H2,1-2H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM50345469
PNG
(2-Oxo-2-(2,2,3,3,3-pentafluoropropoxy)ethyl 8-Oxo-...)
Show SMILES CCCSc1ccc2c3c(C(=O)OCC(=O)OCC(F)(F)C(F)(F)F)c(=O)nc3c3cccc1c23
Show InChI InChI=1S/C23H16F5NO5S/c1-2-8-35-14-7-6-12-16-11(14)4-3-5-13(16)19-17(12)18(20(31)29-19)21(32)33-9-15(30)34-10-22(24,25)23(26,27)28/h3-7H,2,8-10H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RON expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EphA2 expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Abl using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-Src expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of EGFR2 using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of RET expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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NCI pathway
Reactome pathway
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Kit (Kit)


(Homo sapiens (Human))
BDBM50345444
PNG
(CHEMBL1784725 | Ethyl 8-oxo-8H-acenaphtho[1,2-b]py...)
Show SMILES CCOC(=O)c1c2c3cccc4cccc(c2nc1=O)c34
Show InChI InChI=1S/C17H11NO3/c1-2-21-17(20)14-13-10-7-3-5-9-6-4-8-11(12(9)10)15(13)18-16(14)19/h3-8H,2H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of c-kit expressed in Bac-to-Bac Baculovirus expression system using poly(Glu-Tyr)4:1 as substrate after 60 mins by ELISA


J Med Chem 54: 3732-45 (2011)


Article DOI: 10.1021/jm200258t
BindingDB Entry DOI: 10.7270/Q29W0FTH
More data for this
Ligand-Target Pair