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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'mooberry' and Initial = 'sl'   
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 1.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells compound pretreated for 60 min before EGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50069096
PNG
(CHEMBL3403517 | US10189853, Compound 10)
Show SMILES COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
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n/an/a 3.40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells compound pretreated for 60 min before EGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069093
PNG
(CHEMBL3403514)
Show SMILES CN(c1ccc2occc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-4-5-15-12(9-13)6-7-21-15/h4-9H,1-3H3
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n/an/a 5.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069099
PNG
(CHEMBL3403513)
Show SMILES CN(c1ccc2OCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-4-5-15-12(9-13)6-7-21-15/h4-5,8-9H,6-7H2,1-3H3
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n/an/a 6.70n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022503
PNG
(CHEMBL3297900)
Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
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n/an/a 8.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022522
PNG
(CHEMBL3297899)
Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay


Bioorg Med Chem 21: 891-902 (2013)


Article DOI: 10.1016/j.bmc.2012.12.010
BindingDB Entry DOI: 10.7270/Q2XP7692
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022540
PNG
(CHEMBL3297892)
Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1
Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)
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n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022541
PNG
(CHEMBL3297999)
Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Tubulin


(Homo sapiens (Human))
BDBM59225
PNG
(Boronic acid, cis-6 | Boronic acid, trans-6)
Show SMILES COc1cc(C=Cc2ccc(OC)c(c2)B(O)O)cc(OC)c1OC |w:6.6|
Show InChI InChI=1S/C18H21BO6/c1-22-15-8-7-12(9-14(15)19(20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3/h5-11,20-21H,1-4H3
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n/an/a 17n/an/an/an/an/an/a



University of Virginia



Assay Description
IC50 values for inhibition of cell growth using MCF-7 cell line were obtained by measuring the amount of total cell protein with the sulforhodamine B...


Chem Biol 12: 1007-14 (2005)


Article DOI: 10.1016/j.chembiol.2005.06.016
BindingDB Entry DOI: 10.7270/Q2DN43HC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069102
PNG
(CHEMBL3403510 | US10189853, Compound 3)
Show SMILES COc1ccc(cc1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)12-6-7-14(21-4)15(9-12)22-5/h6-9H,1-5H3
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069100
PNG
(CHEMBL3403512 | US10189853, Compound 5)
Show SMILES CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H15N3O3/c1-9-6-12-15(17-10(2)18-16(12)22-9)19(3)11-4-5-13-14(7-11)21-8-20-13/h4-7H,8H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069094
PNG
(CHEMBL3403515)
Show SMILES COc1ccc2N(CCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20-7-6-12-9-13(21-3)4-5-15(12)20/h4-5,8-9H,6-7H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022541
PNG
(CHEMBL3297999)
Show SMILES COc1ccc(cc1)N(C(C)C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)21(14-6-8-15(22-5)9-7-14)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022542
PNG
(CHEMBL3297898 | US10189853, Compound 1)
Show SMILES COc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50069093
PNG
(CHEMBL3403514)
Show SMILES CN(c1ccc2occc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H15N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-4-5-15-12(9-13)6-7-21-15/h4-9H,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50069099
PNG
(CHEMBL3403513)
Show SMILES CN(c1ccc2OCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-10-8-14-16(18-11(2)19-17(14)22-10)20(3)13-4-5-15-12(9-13)6-7-21-15/h4-5,8-9H,6-7H2,1-3H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022522
PNG
(CHEMBL3297899)
Show SMILES CCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O2/c1-5-20(13-6-8-14(21-4)9-7-13)16-15-10-11(2)22-17(15)19-12(3)18-16/h6-10H,5H2,1-4H3
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n/an/a 27n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022544
PNG
(CHEMBL3297896)
Show SMILES Cc1cc2c(Nc3cccc4[nH]ccc34)nc(C)nc2o1
Show InChI InChI=1S/C16H14N4O/c1-9-8-12-15(18-10(2)19-16(12)21-9)20-14-5-3-4-13-11(14)6-7-17-13/h3-8,17H,1-2H3,(H,18,19,20)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50435115
PNG
(CHEMBL2391704)
Show SMILES CCOc1ccc(cc1)N(C)c1nc(N)nc2[nH]c3ccccc3c12
Show InChI InChI=1S/C19H19N5O/c1-3-25-13-10-8-12(9-11-13)24(2)18-16-14-6-4-5-7-15(14)21-17(16)22-19(20)23-18/h4-11H,3H2,1-2H3,(H3,20,21,22,23)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay


Bioorg Med Chem 21: 891-902 (2013)


Article DOI: 10.1016/j.bmc.2012.12.010
BindingDB Entry DOI: 10.7270/Q2XP7692
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022540
PNG
(CHEMBL3297892)
Show SMILES Cc1cc2c(Nc3cccc(c3)C#C)nc(C)nc2o1
Show InChI InChI=1S/C16H13N3O/c1-4-12-6-5-7-13(9-12)19-15-14-8-10(2)20-16(14)18-11(3)17-15/h1,5-9H,2-3H3,(H,17,18,19)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022545
PNG
(CHEMBL3297894)
Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)nc(C)nc2o1
Show InChI InChI=1S/C14H11ClFN3O/c1-7-5-10-13(17-8(2)18-14(10)20-7)19-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H,17,18,19)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022503
PNG
(CHEMBL3297900)
Show SMILES CCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-5-10-21(14-6-8-15(22-4)9-7-14)17-16-11-12(2)23-18(16)20-13(3)19-17/h6-9,11H,5,10H2,1-4H3
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022547
PNG
(CHEMBL3297891)
Show SMILES Cc1cc2c(Nc3cccc4ccccc34)nc(C)nc2o1
Show InChI InChI=1S/C18H15N3O/c1-11-10-15-17(19-12(2)20-18(15)22-11)21-16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,19,20,21)
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n/an/a 32n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069103
PNG
(CHEMBL3403509 | US10189853, Compound 2)
Show SMILES COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)c(OC)c1
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)14-7-6-12(21-4)9-15(14)22-5/h6-9H,1-5H3
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n/an/a 32n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Tubulin


(Homo sapiens (Human))
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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University of Virginia



Assay Description
IC50 values for inhibition of cell growth using MCF-7 cell line were obtained by measuring the amount of total cell protein with the sulforhodamine B...


Chem Biol 12: 1007-14 (2005)


Article DOI: 10.1016/j.chembiol.2005.06.016
BindingDB Entry DOI: 10.7270/Q2DN43HC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069096
PNG
(CHEMBL3403517 | US10189853, Compound 10)
Show SMILES COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
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n/an/a 33n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50435114
PNG
(CHEMBL2391709)
Show SMILES COc1ccc(cc1)N(C)c1nc(N)nc2[nH]c3ccccc3c12
Show InChI InChI=1S/C18H17N5O/c1-23(11-7-9-12(24-2)10-8-11)17-15-13-5-3-4-6-14(13)20-16(15)21-18(19)22-17/h3-10H,1-2H3,(H3,19,20,21,22)
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n/an/a 34n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay


Bioorg Med Chem 21: 891-902 (2013)


Article DOI: 10.1016/j.bmc.2012.12.010
BindingDB Entry DOI: 10.7270/Q2XP7692
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022504
PNG
(CHEMBL3297998)
Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3
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n/an/a 34n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50069097
PNG
(CHEMBL3403518 | US10189853, Compound 11)
Show SMILES CC(C)Oc1ccc(cc1)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H21N3O2/c1-11(2)22-15-8-6-14(7-9-15)21(5)17-16-10-12(3)23-18(16)20-13(4)19-17/h6-11H,1-5H3
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n/an/a 39n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before VEGF stimulation for 10 mins by phosphotyrosine ELISA cytoblot method


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50069103
PNG
(CHEMBL3403509 | US10189853, Compound 2)
Show SMILES COc1ccc(N(C)c2nc(C)nc3oc(C)cc23)c(OC)c1
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)14-7-6-12(21-4)9-15(14)22-5/h6-9H,1-5H3
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n/an/a 40n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50022546
PNG
(CHEMBL3297897)
Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1
Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)
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n/an/a 42n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022546
PNG
(CHEMBL3297897)
Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1
Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)
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n/an/a 43n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022514
PNG
(CHEMBL3297816)
Show SMILES Cc1cc2c(Nc3ccccc3)nc(C)nc2o1
Show InChI InChI=1S/C14H13N3O/c1-9-8-12-13(15-10(2)16-14(12)18-9)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16,17)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50069100
PNG
(CHEMBL3403512 | US10189853, Compound 5)
Show SMILES CN(c1ccc2OCOc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C16H15N3O3/c1-9-6-12-15(17-10(2)18-16(12)22-9)19(3)11-4-5-13-14(7-11)21-8-20-13/h4-7H,8H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022504
PNG
(CHEMBL3297998)
Show SMILES CCCCN(c1ccc(OC)cc1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C19H23N3O2/c1-5-6-11-22(15-7-9-16(23-4)10-8-15)18-17-12-13(2)24-19(17)21-14(3)20-18/h7-10,12H,5-6,11H2,1-4H3
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n/an/a 57n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50022545
PNG
(CHEMBL3297894)
Show SMILES Cc1cc2c(Nc3ccc(F)c(Cl)c3)nc(C)nc2o1
Show InChI InChI=1S/C14H11ClFN3O/c1-7-5-10-13(17-8(2)18-14(10)20-7)19-9-3-4-12(16)11(15)6-9/h3-6H,1-2H3,(H,17,18,19)
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n/an/a 58n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50069096
PNG
(CHEMBL3403517 | US10189853, Compound 10)
Show SMILES COc1ccc2N(CCCc2c1)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C18H19N3O2/c1-11-9-15-17(19-12(2)20-18(15)23-11)21-8-4-5-13-10-14(22-3)6-7-16(13)21/h6-7,9-10H,4-5,8H2,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50022546
PNG
(CHEMBL3297897)
Show SMILES COc1ccc(Nc2nc(C)nc3oc(C)cc23)cc1
Show InChI InChI=1S/C15H15N3O2/c1-9-8-13-14(16-10(2)17-15(13)20-9)18-11-4-6-12(19-3)7-5-11/h4-8H,1-3H3,(H,16,17,18)
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n/an/a 64n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SH-SY5Y cells by phosphotyrosine ELISA assay


Bioorg Med Chem 22: 3753-72 (2014)


Article DOI: 10.1016/j.bmc.2014.04.049
BindingDB Entry DOI: 10.7270/Q20K2B45
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50069102
PNG
(CHEMBL3403510 | US10189853, Compound 3)
Show SMILES COc1ccc(cc1OC)N(C)c1nc(C)nc2oc(C)cc12
Show InChI InChI=1S/C17H19N3O3/c1-10-8-13-16(18-11(2)19-17(13)23-10)20(3)12-6-7-14(21-4)15(9-12)22-5/h6-9H,1-5H3
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n/an/a 66n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min before PDGF-BB stimulation for 10 mins by phosphotyrosine ELISA cytoblot ...


Bioorg Med Chem 23: 2408-23 (2015)


Article DOI: 10.1016/j.bmc.2015.03.061
BindingDB Entry DOI: 10.7270/Q2765H1D
More data for this
Ligand-Target Pair
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