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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'shenoy' and Initial = 's'   
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
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/s2
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n/an/a 22n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318173
PNG
(CHEMBL1095762 | N4-(4-Bromo-2-chlorophenyl)-6-(2,4...)
Show SMILES Nc1nc(Nc2ccc(Br)cc2Cl)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H13BrCl3N5/c20-10-2-4-16(15(23)6-10)26-18-13-8-12(25-17(13)27-19(24)28-18)5-9-1-3-11(21)7-14(9)22/h1-4,6-8H,5H2,(H4,24,25,26,27,28)
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n/an/a 100n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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n/an/a 100n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-stimulated PDGFRbeta phosphorylation expressed in mouse NIH/3T3 cells by chemiluminescence assay


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318174
PNG
(CHEMBL1095761 | N4-(3-bromophenyl)-6-(2,4-dichloro...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)22/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318182
PNG
(CHEMBL1095464 | N4-(3-bromophenyl)-6-(2-methylbenz...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2[nH]1
Show InChI InChI=1S/C20H18BrN5/c1-12-5-2-3-6-13(12)9-16-11-17-18(25-20(22)26-19(17)24-16)23-15-8-4-7-14(21)10-15/h2-8,10-11H,9H2,1H3,(H4,22,23,24,25,26)
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n/an/a 200n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 230n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18795
PNG
((2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquin...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/s2
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n/an/a 290n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318176
PNG
(CHEMBL1095131 | N4-(3-Fluorophenyl)-6-(2,4-dichlor...)
Show SMILES Nc1nc(Nc2cccc(F)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H14Cl2FN5/c20-11-5-4-10(16(21)7-11)6-14-9-15-17(26-19(23)27-18(15)25-14)24-13-3-1-2-12(22)8-13/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
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n/an/a 300n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50314077
PNG
(5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...)
Show SMILES Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Show InChI InChI=1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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n/an/a 390n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50314076
PNG
(5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)
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n/an/a 540n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318183
PNG
(CHEMBL1095465 | N4-(3-bromophenyl)-6-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)c1
Show InChI InChI=1S/C21H20BrN5O2/c1-28-16-6-7-18(29-2)12(9-16)8-15-11-17-19(26-21(23)27-20(17)25-15)24-14-5-3-4-13(22)10-14/h3-7,9-11H,8H2,1-2H3,(H4,23,24,25,26,27)
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n/an/a 600n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
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 1.20E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318180
PNG
(CHEMBL1095463 | N4-(4-Isopropylphenyl)-6-(2,4-dich...)
Show SMILES CC(C)c1ccc(Nc2nc(N)nc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)cc1
Show InChI InChI=1S/C22H21Cl2N5/c1-12(2)13-4-7-16(8-5-13)26-20-18-11-17(27-21(18)29-22(25)28-20)9-14-3-6-15(23)10-19(14)24/h3-8,10-12H,9H2,1-2H3,(H4,25,26,27,28,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318175
PNG
(CHEMBL1095130 | N4-(2-Fluoro-4-chlorophenyl)-6-(2,...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H13Cl3FN5/c20-10-2-1-9(14(22)6-10)5-12-8-13-17(25-12)27-19(24)28-18(13)26-16-4-3-11(21)7-15(16)23/h1-4,6-8H,5H2,(H4,24,25,26,27,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50314076
PNG
(5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50185084
PNG
(2-(3,4-dimethoxybenzamido)-4,5,6,7-tetrahydrobenzo...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C18H20N2O4S/c1-23-12-8-7-10(9-13(12)24-2)17(22)20-18-15(16(19)21)11-5-3-4-6-14(11)25-18/h7-9H,3-6H2,1-2H3,(H2,19,21)(H,20,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM17747
PNG
((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
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n/an/a 3.70E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM17747
PNG
((3Z)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H16N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-11H,1-2H3,(H,18,20)/b15-11-
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n/an/a 3.75E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4811
PNG
((Z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-y...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
Show InChI InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in HUVEC by chemiluminescence assay


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318183
PNG
(CHEMBL1095465 | N4-(3-bromophenyl)-6-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)c1
Show InChI InChI=1S/C21H20BrN5O2/c1-28-16-6-7-18(29-2)12(9-16)8-15-11-17-19(26-21(23)27-20(17)25-15)24-14-5-3-4-13(22)10-14/h3-7,9-11H,8H2,1-2H3,(H4,23,24,25,26,27)
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PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318182
PNG
(CHEMBL1095464 | N4-(3-bromophenyl)-6-(2-methylbenz...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2[nH]1
Show InChI InChI=1S/C20H18BrN5/c1-12-5-2-3-6-13(12)9-16-11-17-18(25-20(22)26-19(17)24-16)23-15-8-4-7-14(21)10-15/h2-8,10-11H,9H2,1H3,(H4,22,23,24,25,26)
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PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50314077
PNG
(5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...)
Show SMILES Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Show InChI InChI=1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
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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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(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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PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318183
PNG
(CHEMBL1095465 | N4-(3-bromophenyl)-6-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)c1
Show InChI InChI=1S/C21H20BrN5O2/c1-28-16-6-7-18(29-2)12(9-16)8-15-11-17-19(26-21(23)27-20(17)25-15)24-14-5-3-4-13(22)10-14/h3-7,9-11H,8H2,1-2H3,(H4,23,24,25,26,27)
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PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
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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PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4621
PNG
(Anilinoquinazoline deriv. 4 | CHEMBL150315 | N-(4-...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 phosphorylation in human A498 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4621
PNG
(Anilinoquinazoline deriv. 4 | CHEMBL150315 | N-(4-...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
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PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 in human A498 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50314076
PNG
(5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)
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PubMed
n/an/a 1.51E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318174
PNG
(CHEMBL1095761 | N4-(3-bromophenyl)-6-(2,4-dichloro...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)22/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
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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Article
PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50314076
PNG
(5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)
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PubMed
n/an/a 2.26E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318175
PNG
(CHEMBL1095130 | N4-(2-Fluoro-4-chlorophenyl)-6-(2,...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H13Cl3FN5/c20-10-2-1-9(14(22)6-10)5-12-8-13-17(25-12)27-19(24)28-18(13)26-16-4-3-11(21)7-15(16)23/h1-4,6-8H,5H2,(H4,24,25,26,27,28)
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n/an/a 2.46E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318184
PNG
(CHEMBL1095466 | N-(3-bromophenyl)-6-(2-methylbenzy...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)ncnc2[nH]1
Show InChI InChI=1S/C20H17BrN4/c1-13-5-2-3-6-14(13)9-17-11-18-19(22-12-23-20(18)25-17)24-16-8-4-7-15(21)10-16/h2-8,10-12H,9H2,1H3,(H2,22,23,24,25)
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n/an/a 2.72E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318177
PNG
(CHEMBL1095445 | N4-(3-Trifluoromethylphenyl)-6-(2,...)
Show SMILES Nc1nc(Nc2cccc(c2)C(F)(F)F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C20H14Cl2F3N5/c21-12-5-4-10(16(22)8-12)6-14-9-15-17(29-19(26)30-18(15)28-14)27-13-3-1-2-11(7-13)20(23,24)25/h1-5,7-9H,6H2,(H4,26,27,28,29,30)
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n/an/a 2.72E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318174
PNG
(CHEMBL1095761 | N4-(3-bromophenyl)-6-(2,4-dichloro...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)22/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/s2
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Article
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n/an/a 2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50314077
PNG
(5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...)
Show SMILES Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Show InChI InChI=1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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n/an/a>3.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50318183
PNG
(CHEMBL1095465 | N4-(3-bromophenyl)-6-(2,5-dimethox...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)c1
Show InChI InChI=1S/C21H20BrN5O2/c1-28-16-6-7-18(29-2)12(9-16)8-15-11-17-19(26-21(23)27-20(17)25-15)24-14-5-3-4-13(22)10-14/h3-7,9-11H,8H2,1-2H3,(H4,23,24,25,26,27)
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n/an/a 3.11E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 phosphorylation in human A498 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50314076
PNG
(5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318187
PNG
(6-(2,4-dichlorobenzyl)-N-(3-(trifluoromethyl)pheny...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)c1
Show InChI InChI=1S/C20H13Cl2F3N4/c21-13-5-4-11(17(22)8-13)6-15-9-16-18(26-10-27-19(16)29-15)28-14-3-1-2-12(7-14)20(23,24)25/h1-5,7-10H,6H2,(H2,26,27,28,29)
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n/an/a 3.31E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50314077
PNG
(5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...)
Show SMILES Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Show InChI InChI=1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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n/an/a 3.96E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50314077
PNG
(5-(p-tolylthio)-9H-pyrimido[4,5-b]indole-2,4-diami...)
Show SMILES Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1
Show InChI InChI=1S/C17H15N5S/c1-9-5-7-10(8-6-9)23-12-4-2-3-11-13(12)14-15(18)21-17(19)22-16(14)20-11/h2-8H,1H3,(H5,18,19,20,21,22)
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n/an/a 4.03E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50314076
PNG
(5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamin...)
Show SMILES Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Show InChI InChI=1S/C16H13N5S/c17-14-13-12-10(19-15(13)21-16(18)20-14)7-4-8-11(12)22-9-5-2-1-3-6-9/h1-8H,(H5,17,18,19,20,21)
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n/an/a 4.12E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 activity in human MV 3:11 cells by phosphotyrosine cell-based ELISA


J Med Chem 53: 1563-78 (2010)


Article DOI: 10.1021/jm9011142
BindingDB Entry DOI: 10.7270/Q2SX6F6D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318181
PNG
(CHEMBL1095776 | N4-(2-Isopropylphenyl)-6-(2,4-dich...)
Show SMILES CC(C)c1ccccc1Nc1nc(N)nc2[nH]c(Cc3ccc(Cl)cc3Cl)cc12
Show InChI InChI=1S/C22H21Cl2N5/c1-12(2)16-5-3-4-6-19(16)27-21-17-11-15(26-20(17)28-22(25)29-21)9-13-7-8-14(23)10-18(13)24/h3-8,10-12H,9H2,1-2H3,(H4,25,26,27,28,29)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318180
PNG
(CHEMBL1095463 | N4-(4-Isopropylphenyl)-6-(2,4-dich...)
Show SMILES CC(C)c1ccc(Nc2nc(N)nc3[nH]c(Cc4ccc(Cl)cc4Cl)cc23)cc1
Show InChI InChI=1S/C22H21Cl2N5/c1-12(2)13-4-7-16(8-5-13)26-20-18-11-17(27-21(18)29-22(25)28-20)9-14-3-6-15(23)10-19(14)24/h3-8,10-12H,9H2,1-2H3,(H4,25,26,27,28,29)
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n/an/a 4.56E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318175
PNG
(CHEMBL1095130 | N4-(2-Fluoro-4-chlorophenyl)-6-(2,...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2F)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H13Cl3FN5/c20-10-2-1-9(14(22)6-10)5-12-8-13-17(25-12)27-19(24)28-18(13)26-16-4-3-11(21)7-15(16)23/h1-4,6-8H,5H2,(H4,24,25,26,27,28)
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n/an/a 4.57E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50318174
PNG
(CHEMBL1095761 | N4-(3-bromophenyl)-6-(2,4-dichloro...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccc(Cl)cc3Cl)[nH]c2n1
Show InChI InChI=1S/C19H14BrCl2N5/c20-11-2-1-3-13(7-11)24-17-15-9-14(25-18(15)27-19(23)26-17)6-10-4-5-12(21)8-16(10)22/h1-5,7-9H,6H2,(H4,23,24,25,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 phosphorylation in human A498 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318182
PNG
(CHEMBL1095464 | N4-(3-bromophenyl)-6-(2-methylbenz...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2[nH]1
Show InChI InChI=1S/C20H18BrN5/c1-12-5-2-3-6-13(12)9-16-11-17-18(25-20(22)26-19(17)24-16)23-15-8-4-7-14(21)10-15/h2-8,10-11H,9H2,1H3,(H4,22,23,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
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