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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'fiebig' and Initial = 'hh'   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551643
PNG
(CHEMBL4790597)
Show SMILES CN([C@H]1C[C@]2(C)O[C@](C)(C1)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13)C(=O)c1ccccc1 |r|
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551643
PNG
(CHEMBL4790597)
Show SMILES CN([C@H]1C[C@]2(C)O[C@](C)(C1)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13)C(=O)c1ccccc1 |r|
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n/an/a 0.730n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551644
PNG
(CHEMBL4745937)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)no1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551649
PNG
(CHEMBL4765060)
Show SMILES Cl.CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(OC(=O)N4CCC(CC4)N4CCCCC4)ccc3[nH]2)no1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
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)
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551649
PNG
(CHEMBL4765060)
Show SMILES Cl.CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(OC(=O)N4CCC(CC4)N4CCCCC4)ccc3[nH]2)no1
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n/an/a 3.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551644
PNG
(CHEMBL4745937)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3oc(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)no1
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551647
PNG
(CHEMBL4755980)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551650
PNG
(CHEMBL4754982)
Show SMILES CC(C)(C)c1nnc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)s1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
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))
BDBM50551650
PNG
(CHEMBL4754982)
Show SMILES CC(C)(C)c1nnc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3[nH]2)s1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551648
PNG
(CHEMBL4740264)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cc3cc([nH]c3cn2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
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
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))
BDBM50551646
PNG
(CHEMBL4751666)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2[nH]1
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n/an/a 85n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
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))
BDBM50551645
PNG
(CHEMBL4764595)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2cc(NC(=O)Nc3cc(on3)C(C)(C)C)ccc2[nH]1
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n/an/a 133n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 ITD mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50300690
PNG
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/a 137n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551647
PNG
(CHEMBL4755980)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]c(cc3c2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
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
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
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
Tubulin beta-2B chain


(Bos taurus)
BDBM50107677
PNG
((3-Hydroxy-phenyl)-(5-methoxy-1H-indol-2-yl)-metha...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H13NO3/c1-20-13-5-6-14-11(8-13)9-15(17-14)16(19)10-3-2-4-12(18)7-10/h2-9,17-18H,1H3
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n/an/a 660n/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)
BDBM50107656
PNG
((3,5-Dimethoxy-phenyl)-(5-methoxy-1H-indol-2-yl)-m...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-13-4-5-16-11(6-13)9-17(19-16)18(20)12-7-14(22-2)10-15(8-12)23-3/h4-10,19H,1-3H3
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n/an/a 810n/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)
BDBM50107676
PNG
((3,4-Dimethoxy-phenyl)-(5-methoxy-1H-indol-2-yl)-m...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-13-5-6-14-12(8-13)9-15(19-14)18(20)11-4-7-16(22-2)17(10-11)23-3/h4-10,19H,1-3H3
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n/an/a 810n/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
Vascular endothelial growth factor receptor 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 820n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 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
Tubulin beta-2B chain


(Bos taurus)
BDBM50107674
PNG
(Butyric acid 3-(5-methoxy-1H-indole-2-carbonyl)-ph...)
Show SMILES CCCC(=O)Oc1cccc(c1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C20H19NO4/c1-3-5-19(22)25-16-7-4-6-13(10-16)20(23)18-12-14-11-15(24-2)8-9-17(14)21-18/h4,6-12,21H,3,5H2,1-2H3
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n/an/a 850n/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)
BDBM50107664
PNG
((5-Methoxy-1H-indol-2-yl)-(3-nitro-phenyl)-methano...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O4/c1-22-13-5-6-14-11(8-13)9-15(17-14)16(19)10-3-2-4-12(7-10)18(20)21/h2-9,17H,1H3
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n/an/a 850n/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)
BDBM50107693
PNG
((5-Methyl-1H-indol-2-yl)-(3,4,5-trimethoxy-phenyl)...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C19H19NO4/c1-11-5-6-14-12(7-11)8-15(20-14)18(21)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-10,20H,1-4H3
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n/an/a 860n/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
Aromatase


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase


J Nat Prod 70: 353-60 (2007)


Article DOI: 10.1021/np060505o
BindingDB Entry DOI: 10.7270/Q2930STQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50107662
PNG
((3-Amino-phenyl)-(5-methoxy-1H-indol-2-yl)-methano...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(N)c1
Show InChI InChI=1S/C16H14N2O2/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,17H2,1H3
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n/an/a 990n/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)
BDBM50107651
PNG
((5-Methoxy-1H-indol-2-yl)-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO5/c1-22-13-5-6-14-11(7-13)8-15(20-14)18(21)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-10,20H,1-4H3
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n/an/a 990n/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)
BDBM50107663
PNG
((2-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methan...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1F
Show InChI InChI=1S/C16H12FNO2/c1-20-11-6-7-14-10(8-11)9-15(18-14)16(19)12-4-2-3-5-13(12)17/h2-9,18H,1H3
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n/an/a 1.00E+3n/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)
BDBM50107670
PNG
((5-Methoxy-1H-indol-2-yl)-(2-methoxy-phenyl)-metha...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1OC
Show InChI InChI=1S/C17H15NO3/c1-20-12-7-8-14-11(9-12)10-15(18-14)17(19)13-5-3-4-6-16(13)21-2/h3-10,18H,1-2H3
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n/an/a 1.29E+3n/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)
BDBM50107680
PNG
((5-Methoxy-1H-indol-2-yl)-p-tolyl-methanone | CHEM...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H15NO2/c1-11-3-5-12(6-4-11)17(19)16-10-13-9-14(20-2)7-8-15(13)18-16/h3-10,18H,1-2H3
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n/an/a 1.50E+3n/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)
BDBM50107671
PNG
((5-Methoxy-1H-indol-2-yl)-(3-trifluoromethyl-pheny...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F3NO2/c1-23-13-5-6-14-11(8-13)9-15(21-14)16(22)10-3-2-4-12(7-10)17(18,19)20/h2-9,21H,1H3
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n/an/a 1.50E+3n/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)
BDBM50107682
PNG
((5-Methoxy-1H-indol-2-yl)-(3-trifluoromethoxy-phen...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H12F3NO3/c1-23-12-5-6-14-11(8-12)9-15(21-14)16(22)10-3-2-4-13(7-10)24-17(18,19)20/h2-9,21H,1H3
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n/an/a 1.70E+3n/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))
BDBM50551646
PNG
(CHEMBL4751666)
Show SMILES Cc1cccc2[nH]c(cc12)C(=O)c1cc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)cc2[nH]1
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n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50551648
PNG
(CHEMBL4740264)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cc3cc([nH]c3cn2)C(=O)c2cc3cc(O)ccc3o2)no1
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n/an/a 2.08E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FLT3 D835Y mutant EAIYAAPFAKKK peptide as substrate in presence of 33P-gamma ATP by hotspot kinase assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112232
BindingDB Entry DOI: 10.7270/Q25H7KWP
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50107673
PNG
((3-Difluoromethylsulfanyl-phenyl)-(5-methoxy-1H-in...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(SC(F)F)c1
Show InChI InChI=1S/C17H13F2NO2S/c1-22-12-5-6-14-11(7-12)9-15(20-14)16(21)10-3-2-4-13(8-10)23-17(18)19/h2-9,17,20H,1H3
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n/an/a 2.10E+3n/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
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