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PubMed code 20558072

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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))
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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 250n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326617
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimetho...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(nc(N)nc3n2C)N(C)c2cccc(Br)c2)c1
Show InChI InChI=1S/C23H24BrN5O2/c1-28(16-7-5-6-15(24)12-16)21-19-13-17(29(2)22(19)27-23(25)26-21)10-14-11-18(30-3)8-9-20(14)31-4/h5-9,11-13H,10H2,1-4H3,(H2,25,26,27)
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n/an/a 500n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 620n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326614
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C22H22BrN5/c1-14-7-4-5-8-15(14)11-18-13-19-20(25-22(24)26-21(19)28(18)3)27(2)17-10-6-9-16(23)12-17/h4-10,12-13H,11H2,1-3H3,(H2,24,25,26)
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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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326615
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimetho...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(nc(N)nc3[nH]2)N(C)c2cccc(Br)c2)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-28(16-6-4-5-14(23)11-16)21-18-12-15(25-20(18)26-22(24)27-21)9-13-10-17(29-2)7-8-19(13)30-3/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326610
PNG
(2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...)
Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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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n/an/a 8.92E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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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n/an/a 9.19E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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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n/an/a 1.22E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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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n/an/a 1.26E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326613
PNG
(2-Amino-4-(m-bromoanilino)-6-(2-methylbenzyl)-7-me...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2n1C
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-17-12-18-19(24-16-9-5-8-15(22)11-16)25-21(23)26-20(18)27(17)2/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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n/an/a 1.28E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 1.29E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 1.89E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326612
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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n/an/a 3.12E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326612
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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n/an/a 3.48E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50271906
PNG
(2-benzyl-N4-(3-bromophenyl)-1H-indole-4,6-diamine ...)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(Cc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)
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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 VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
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 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326609
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-pyrro...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3)cc12
Show InChI InChI=1S/C20H18BrN5/c1-26(16-9-5-8-14(21)11-16)19-17-12-15(10-13-6-3-2-4-7-13)23-18(17)24-20(22)25-19/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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n/an/a 5.31E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326611
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-7-met...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C21H20BrN5/c1-26(16-10-6-9-15(22)12-16)19-18-13-17(11-14-7-4-3-5-8-14)27(2)20(18)25-21(23)24-19/h3-10,12-13H,11H2,1-2H3,(H2,23,24,25)
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n/an/a 7.17E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(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 8.31E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326609
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-pyrro...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3)cc12
Show InChI InChI=1S/C20H18BrN5/c1-26(16-9-5-8-14(21)11-16)19-17-12-15(10-13-6-3-2-4-7-13)23-18(17)24-20(22)25-19/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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n/an/a 8.92E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326613
PNG
(2-Amino-4-(m-bromoanilino)-6-(2-methylbenzyl)-7-me...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2n1C
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-17-12-18-19(24-16-9-5-8-15(22)11-16)25-21(23)26-20(18)27(17)2/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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n/an/a 1.16E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 1.25E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326615
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimetho...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(nc(N)nc3[nH]2)N(C)c2cccc(Br)c2)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-28(16-6-4-5-14(23)11-16)21-18-12-15(25-20(18)26-22(24)27-21)9-13-10-17(29-2)7-8-19(13)30-3/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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n/an/a 1.44E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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 1.72E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326610
PNG
(2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...)
Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326616
PNG
(2-Amino-4-(m-bromoanilino)-6-(2,5-dimethoxybenzyl)...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3n2C)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-28-16(9-13-10-17(29-2)7-8-19(13)30-3)12-18-20(26-22(24)27-21(18)28)25-15-6-4-5-14(23)11-15/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326615
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimetho...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(nc(N)nc3[nH]2)N(C)c2cccc(Br)c2)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-28(16-6-4-5-14(23)11-16)21-18-12-15(25-20(18)26-22(24)27-21)9-13-10-17(29-2)7-8-19(13)30-3/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326616
PNG
(2-Amino-4-(m-bromoanilino)-6-(2,5-dimethoxybenzyl)...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3n2C)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-28-16(9-13-10-17(29-2)7-8-19(13)30-3)12-18-20(26-22(24)27-21(18)28)25-15-6-4-5-14(23)11-15/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326612
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326614
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C22H22BrN5/c1-14-7-4-5-8-15(14)11-18-13-19-20(25-22(24)26-21(19)28(18)3)27(2)17-10-6-9-16(23)12-17/h4-10,12-13H,11H2,1-3H3,(H2,24,25,26)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326617
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimetho...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(nc(N)nc3n2C)N(C)c2cccc(Br)c2)c1
Show InChI InChI=1S/C23H24BrN5O2/c1-28(16-7-5-6-15(24)12-16)21-19-13-17(29(2)22(19)27-23(25)26-21)10-14-11-18(30-3)8-9-20(14)31-4/h5-9,11-13H,10H2,1-4H3,(H2,25,26,27)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326611
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-7-met...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C21H20BrN5/c1-26(16-10-6-9-15(22)12-16)19-18-13-17(11-14-7-4-3-5-8-14)27(2)20(18)25-21(23)24-19/h3-10,12-13H,11H2,1-2H3,(H2,23,24,25)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50326610
PNG
(2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...)
Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326611
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-7-met...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3)cc12
Show InChI InChI=1S/C21H20BrN5/c1-26(16-10-6-9-15(22)12-16)19-18-13-17(11-14-7-4-3-5-8-14)27(2)20(18)25-21(23)24-19/h3-10,12-13H,11H2,1-2H3,(H2,23,24,25)
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n/an/a 2.54E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326616
PNG
(2-Amino-4-(m-bromoanilino)-6-(2,5-dimethoxybenzyl)...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)nc(N)nc3n2C)c1
Show InChI InChI=1S/C22H22BrN5O2/c1-28-16(9-13-10-17(29-2)7-8-19(13)30-3)12-18-20(26-22(24)27-21(18)28)25-15-6-4-5-14(23)11-15/h4-8,10-12H,9H2,1-3H3,(H3,24,25,26,27)
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n/an/a 3.48E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326609
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-benzyl-pyrro...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3)cc12
Show InChI InChI=1S/C20H18BrN5/c1-26(16-9-5-8-14(21)11-16)19-17-12-15(10-13-6-3-2-4-7-13)23-18(17)24-20(22)25-19/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326614
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2n(C)c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C22H22BrN5/c1-14-7-4-5-8-15(14)11-18-13-19-20(25-22(24)26-21(19)28(18)3)27(2)17-10-6-9-16(23)12-17/h4-10,12-13H,11H2,1-3H3,(H2,24,25,26)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326613
PNG
(2-Amino-4-(m-bromoanilino)-6-(2-methylbenzyl)-7-me...)
Show SMILES Cc1ccccc1Cc1cc2c(Nc3cccc(Br)c3)nc(N)nc2n1C
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-17-12-18-19(24-16-9-5-8-15(22)11-16)25-21(23)26-20(18)27(17)2/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326617
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2,5-dimetho...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(nc(N)nc3n2C)N(C)c2cccc(Br)c2)c1
Show InChI InChI=1S/C23H24BrN5O2/c1-28(16-7-5-6-15(24)12-16)21-19-13-17(29(2)22(19)27-23(25)26-21)10-14-11-18(30-3)8-9-20(14)31-4/h5-9,11-13H,10H2,1-4H3,(H2,25,26,27)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%