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Compile Data Set for Download or QSAR

Found 208 hits with Last Name = 'böhmer' and Initial = 'fd'   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 3.10n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359993
PNG
(CHEMBL1928291)
Show SMILES Fc1ccc(Nc2ncnc3sc(cc23)C(=O)c2cc3ccccc3[nH]2)cc1Cl
Show InChI InChI=1S/C21H12ClFN4OS/c22-14-8-12(5-6-15(14)23)26-20-13-9-18(29-21(13)25-10-24-20)19(28)17-7-11-3-1-2-4-16(11)27-17/h1-10,27H,(H,24,25,26)
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n/an/a 5.54n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359997
PNG
(CHEMBL1928312)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C22H14ClFN4O2S/c1-30-13-3-5-17-11(6-13)7-18(28-17)20(29)19-9-14-21(25-10-26-22(14)31-19)27-12-2-4-16(24)15(23)8-12/h2-10,28H,1H3,(H,25,26,27)
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n/an/a 5.93n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 8.90n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359998
PNG
(CHEMBL1928315)
Show SMILES Fc1ccc(Nc2ncnc3sc(cc23)C(=O)c2cc3ccccc3s2)cc1Cl
Show InChI InChI=1S/C21H11ClFN3OS2/c22-14-8-12(5-6-15(14)23)26-20-13-9-18(29-21(13)25-10-24-20)19(27)17-7-11-3-1-2-4-16(11)28-17/h1-10H,(H,24,25,26)
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n/an/a 10.8n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359999
PNG
(CHEMBL1928309)
Show SMILES Clc1cccc(Nc2ncnc3sc(cc23)C(=O)c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C21H13ClN4OS/c22-13-5-3-6-14(9-13)25-20-15-10-18(28-21(15)24-11-23-20)19(27)17-8-12-4-1-2-7-16(12)26-17/h1-11,26H,(H,23,24,25)
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n/an/a 16.6n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359995
PNG
(CHEMBL1928301)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C(=O)c3cc4ccccc4[nH]3)c(Cl)c2)c1
Show InChI InChI=1S/C28H18ClFN4O2S/c29-21-12-19(36-14-16-4-3-6-18(30)10-16)8-9-23(21)34-27-20-13-25(37-28(20)32-15-31-27)26(35)24-11-17-5-1-2-7-22(17)33-24/h1-13,15,33H,14H2,(H,31,32,34)
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n/an/a 18.5n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359994
PNG
(CHEMBL1928293)
Show SMILES O=C(c1cc2ccccc2[nH]1)c1cc2c(Nc3cccc(c3)C#C)ncnc2s1
Show InChI InChI=1S/C23H14N4OS/c1-2-14-6-5-8-16(10-14)26-22-17-12-20(29-23(17)25-13-24-22)21(28)19-11-15-7-3-4-9-18(15)27-19/h1,3-13,27H,(H,24,25,26)
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n/an/a 18.7n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359992
PNG
(CHEMBL1928311)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C21H12ClFN4O2S/c22-14-7-11(1-3-15(14)23)26-20-13-8-18(30-21(13)25-9-24-20)19(29)17-6-10-5-12(28)2-4-16(10)27-17/h1-9,27-28H,(H,24,25,26)
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n/an/a 24n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 33n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 40n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359996
PNG
(CHEMBL1928310)
Show SMILES Fc1ccc(Nc2ncnc3sc(cc23)C(=O)c2cc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H13FN4OS/c22-13-5-7-14(8-6-13)25-20-15-10-18(28-21(15)24-11-23-20)19(27)17-9-12-3-1-2-4-16(12)26-17/h1-11,26H,(H,23,24,25)
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n/an/a 43.7n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50187340
PNG
((6-Chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C18H13ClN2O2/c1-23-13-4-5-14-11(6-13)8-17(20-14)18(22)16-7-10-2-3-12(19)9-15(10)21-16/h2-9,20-21H,1H3
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n/an/a 55n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR beta


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187345
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)...)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-10-3-2-4-15-13(10)9-17(20-15)18(22)16-8-11-7-12(21)5-6-14(11)19-16/h2-9,19-21H,1H3
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n/an/a 60n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 60n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of Erbb2 using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187345
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)...)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-10-3-2-4-15-13(10)9-17(20-15)18(22)16-8-11-7-12(21)5-6-14(11)19-16/h2-9,19-21H,1H3
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n/an/a 70n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359992
PNG
(CHEMBL1928311)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1
Show InChI InChI=1S/C21H12ClFN4O2S/c22-14-7-11(1-3-15(14)23)26-20-13-8-18(30-21(13)25-9-24-20)19(29)17-6-10-5-12(28)2-4-16(10)27-17/h1-9,27-28H,(H,24,25,26)
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n/an/a 100n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in EGF-stimulated human A431 cells after 1 hr by immunoblotting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 100n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antiproliferative activity against mouse 32Dcl3 cell line expressing wildtype FLT3


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 100n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antiproliferative activity against mouse 32Dcl3 cell line expressing FLT3-ITD


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187369
PNG
((5-Fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H11FN2O2/c18-11-1-3-13-9(5-11)7-15(19-13)17(22)16-8-10-6-12(21)2-4-14(10)20-16/h1-8,19-21H
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n/an/a 170n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 171n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR beta


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM6581
PNG
((5-Hydroxy-1H-2-indolyl)(1H-2-indolyl)-methanone |...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C17H12N2O2/c20-12-5-6-14-11(7-12)9-16(19-14)17(21)15-8-10-3-1-2-4-13(10)18-15/h1-9,18-20H
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n/an/a 200n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187340
PNG
((6-Chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C18H13ClN2O2/c1-23-13-4-5-14-11(6-13)8-17(20-14)18(22)16-7-10-2-3-12(19)9-15(10)21-16/h2-9,20-21H,1H3
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n/an/a 200n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Mus musculus (mouse))
BDBM50202219
PNG
(5-hydroxybenzo[b]furan-2-yl-(5-hydroxy-1Hindol-2-y...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C17H11NO4/c19-11-1-3-13-9(5-11)7-14(18-13)17(21)16-8-10-6-12(20)2-4-15(10)22-16/h1-8,18-20H
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n/an/a 200n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFRbeta autophosphorylation in Swiss 3T3 fibroblasts


Bioorg Med Chem 15: 2187-97 (2007)


Article DOI: 10.1016/j.bmc.2006.12.011
BindingDB Entry DOI: 10.7270/Q2F47NT9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187357
PNG
((4-Methyl-1H-indol-2-yl)-[5-(2-piperidin-1-yl-etho...)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C25H27N3O2/c1-17-6-5-7-22-20(17)16-24(27-22)25(29)23-15-18-14-19(8-9-21(18)26-23)30-13-12-28-10-3-2-4-11-28/h5-9,14-16,26-27H,2-4,10-13H2,1H3
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n/an/a 220n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human FLT3


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50202219
PNG
(5-hydroxybenzo[b]furan-2-yl-(5-hydroxy-1Hindol-2-y...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C17H11NO4/c19-11-1-3-13-9(5-11)7-14(18-13)17(21)16-8-10-6-12(20)2-4-15(10)22-16/h1-8,18-20H
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n/an/a 270n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells


Bioorg Med Chem 15: 2187-97 (2007)


Article DOI: 10.1016/j.bmc.2006.12.011
BindingDB Entry DOI: 10.7270/Q2F47NT9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50359999
PNG
(CHEMBL1928309)
Show SMILES Clc1cccc(Nc2ncnc3sc(cc23)C(=O)c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C21H13ClN4OS/c22-13-5-3-6-14(9-13)25-20-15-10-18(28-21(15)24-11-23-20)19(27)17-8-12-4-1-2-7-16(12)26-17/h1-11,26H,(H,23,24,25)
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n/an/a 300n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in EGF-stimulated human A431 cells after 1 hr by immunoblotting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 300n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of Erbb2 using poly(Glu,Tyr)4:1 as substrate and [gamma33P]ATP after 60 mins by scintillation counting


Bioorg Med Chem 20: 125-36 (2011)


Article DOI: 10.1016/j.bmc.2011.11.023
BindingDB Entry DOI: 10.7270/Q2J966SR
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM6574
PNG
((6-Methoxy-1H-2-indolyl)(1H-2-indolyl)methanone | ...)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-22-13-7-6-12-9-17(20-15(12)10-13)18(21)16-8-11-4-2-3-5-14(11)19-16/h2-10,19-20H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM6573
PNG
((5-Methoxy-1H-2-indolyl)(1H-2-indolyl)methanone | ...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-22-13-6-7-15-12(8-13)10-17(20-15)18(21)16-9-11-4-2-3-5-14(11)19-16/h2-10,19-20H,1H3
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n/an/a 300n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 300n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187365
PNG
((4-Fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C17H11FN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22)15-7-9-6-10(21)4-5-13(9)19-15/h1-8,19-21H
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n/an/a 340n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50107672
PNG
((3-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methan...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H12FNO2/c1-20-13-5-6-14-11(8-13)9-15(18-14)16(19)10-3-2-4-12(17)7-10/h2-9,18H,1H3
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n/an/a 390n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50202215
PNG
((benzo[b]furan-2-yl)-(1H-indol-2-yl)methanone | CH...)
Show SMILES O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H11NO2/c19-17(14-9-11-5-1-3-7-13(11)18-14)16-10-12-6-2-4-8-15(12)20-16/h1-10,18H
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n/an/a 400n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells


Bioorg Med Chem 15: 2187-97 (2007)


Article DOI: 10.1016/j.bmc.2006.12.011
BindingDB Entry DOI: 10.7270/Q2F47NT9
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187348
PNG
((5-Fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H13FN2O2/c1-23-13-3-5-15-11(7-13)9-17(21-15)18(22)16-8-10-6-12(19)2-4-14(10)20-16/h2-9,20-21H,1H3
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n/an/a 400n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50187345
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)...)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-10-3-2-4-15-13(10)9-17(20-15)18(22)16-8-11-7-12(21)5-6-14(11)19-16/h2-9,19-21H,1H3
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n/an/a 458n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR beta


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187345
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)...)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-10-3-2-4-15-13(10)9-17(20-15)18(22)16-8-11-7-12(21)5-6-14(11)19-16/h2-9,19-21H,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing wildtype KIT


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 500n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing wildtype KIT


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187345
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-1H-indol-2-yl)...)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-10-3-2-4-15-13(10)9-17(20-15)18(22)16-8-11-7-12(21)5-6-14(11)19-16/h2-9,19-21H,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing KIT V558D mutant


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187361
PNG
((4-Chloro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2c(Cl)cccc2[nH]1
Show InChI InChI=1S/C17H11ClN2O2/c18-12-2-1-3-14-11(12)8-16(20-14)17(22)15-7-9-6-10(21)4-5-13(9)19-15/h1-8,19-21H
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n/an/a 500n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187356
PNG
((5-Fluoro-1H-indol-2-yl)-[5-(2-piperidin-1-yl-etho...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C24H24FN3O2/c25-18-4-6-20-16(12-18)14-22(26-20)24(29)23-15-17-13-19(5-7-21(17)27-23)30-11-10-28-8-2-1-3-9-28/h4-7,12-15,26-27H,1-3,8-11H2
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n/an/a 500n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187351
PNG
(Bis-(5-hydroxy-1H-indol-2-yl)-methanone | CHEMBL37...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
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n/an/a 500n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of DNA synthesis in IL3 dependent FDC-P1 cells expressing KIT V558D mutant


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187366
PNG
((5-Methoxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(C)cc2[nH]1
Show InChI InChI=1S/C19H16N2O2/c1-11-3-4-12-9-17(21-16(12)7-11)19(22)18-10-13-8-14(23-2)5-6-15(13)20-18/h3-10,20-21H,1-2H3
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n/an/a 510n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50107658
PNG
((5-Methoxy-1H-indol-2-yl)-phenyl-methanone | (5-me...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50107678
PNG
((5-Methoxy-1H-indol-2-yl)-(3-methoxy-phenyl)-metha...)
Show SMILES COc1cccc(c1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C17H15NO3/c1-20-13-5-3-4-11(8-13)17(19)16-10-12-9-14(21-2)6-7-15(12)18-16/h3-10,18H,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.


J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187344
PNG
((5-Hydroxy-1H-indol-2-yl)-(6-methoxy-1H-indol-2-yl...)
Show SMILES COc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O3/c1-23-13-4-2-10-7-16(20-15(10)9-13)18(22)17-8-11-6-12(21)3-5-14(11)19-17/h2-9,19-21H,1H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM6581
PNG
((5-Hydroxy-1H-2-indolyl)(1H-2-indolyl)-methanone |...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C17H12N2O2/c20-12-5-6-14-11(7-12)9-16(19-14)17(21)15-8-10-3-1-2-4-13(10)18-15/h1-9,18-20H
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n/an/a 570n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 in EOL1 cells


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187367
PNG
((5-Hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)...)
Show SMILES Cc1ccc2cc([nH]c2c1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C18H14N2O2/c1-10-2-3-11-8-16(20-15(11)6-10)18(22)17-9-12-7-13(21)4-5-14(12)19-17/h2-9,19-21H,1H3
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n/an/a 580n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM50187364
PNG
((6-Fluoro-1H-indol-2-yl)-(5-hydroxy-1H-indol-2-yl)...)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C17H11FN2O2/c18-11-2-1-9-6-15(20-14(9)8-11)17(22)16-7-10-5-12(21)3-4-13(10)19-16/h1-8,19-21H
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n/an/a 590n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts


J Med Chem 49: 3101-15 (2006)


Article DOI: 10.1021/jm058033i
BindingDB Entry DOI: 10.7270/Q26T0M7B
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50202220
PNG
(CHEMBL376787 | bis(5-aminobenzo[b]furan-2-yl)metha...)
Show SMILES Nc1ccc2oc(cc2c1)C(=O)c1cc2cc(N)ccc2o1
Show InChI InChI=1S/C17H12N2O3/c18-11-1-3-13-9(5-11)7-15(21-13)17(20)16-8-10-6-12(19)2-4-14(10)22-16/h1-8H,18-19H2
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n/an/a 600n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of endogenous FLT3 autophosphorylation in EOL1 cells


Bioorg Med Chem 15: 2187-97 (2007)


Article DOI: 10.1016/j.bmc.2006.12.011
BindingDB Entry DOI: 10.7270/Q2F47NT9
More data for this
Ligand-Target Pair
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