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Compile Data Set for Download or QSAR

Found 930 hits with Last Name = 'dobrusin' and Initial = 'e'   
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))
BDBM50077239
PNG
(CHEMBL52913 | N-[4-(3-Chloro-phenylamino)-quinazol...)
Show SMILES Clc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 0.25n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077247
PNG
(CHEMBL51741 | N-[4-(6-Bromo-2,3-dihydro-indol-1-yl...)
Show SMILES Brc1ccc2CCN(c2c1)c1ncnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C19H15BrN4O/c1-2-18(25)23-14-5-6-16-15(10-14)19(22-11-21-16)24-8-7-12-3-4-13(20)9-17(12)24/h2-6,9-11H,1,7-8H2,(H,23,25)
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n/an/a 0.400n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077244
PNG
(CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...)
Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)
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n/an/a 0.420n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077233
PNG
(CHEMBL443523 | N-(4-(3-bromophenylamino) quinazoli...)
Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 0.450n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077236
PNG
(CHEMBL54088 | N-(4-m-Tolylamino-pyrido[3,4-d]pyrim...)
Show SMILES Cc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H15N5O/c1-3-16(23)22-15-8-13-14(9-18-15)19-10-20-17(13)21-12-6-4-5-11(2)7-12/h3-10H,1H2,2H3,(H,18,22,23)(H,19,20,21)
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n/an/a 0.480n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077246
PNG
(CHEMBL49986 | N-[4-(3-Bromo-phenylamino)-pyrido[4,...)
Show SMILES Brc1cccc(Nc2ncnc3cc(NC(=O)C=C)ncc23)c1
Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-13-12(8-18-14)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18,22,23)(H,19,20,21)
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n/an/a 0.540n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077238
PNG
(CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6266
PNG
(8-Cyclopentyl-2-[4-(2-diethylaminoethoxy)phenylami...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
Show InChI InChI=1S/C24H31N5O2/c1-3-28(4-2)15-16-31-21-12-10-19(11-13-21)26-24-25-17-18-9-14-22(30)29(23(18)27-24)20-7-5-6-8-20/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,25,26,27)
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n/an/a 0.700n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 0.700n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077231
PNG
(CHEMBL54091 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C16H11BrFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)
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n/an/a 0.720n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077242
PNG
(CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)
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n/an/a 0.75n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077235
PNG
(CHEMBL28418 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Cl
Show InChI InChI=1S/C16H11ClFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077241
PNG
(CHEMBL53555 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C16H11ClFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)
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n/an/a 0.770n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077237
PNG
(CHEMBL53690 | N-[4-(3-Trifluoromethyl-phenylamino)...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H,1H2,(H,24,26)(H,22,23,25)
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n/an/a 0.910n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4777
PNG
(4-Anilinopyrido[3,4-d]pyrimidine 3 | CHEMBL51659 |...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18,22,23)(H,19,20,21)
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n/an/a 0.910n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6347
PNG
(2-Aminoquinazoline 26 | 8-cyclopentyl-2-{[4-(piper...)
Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
Show InChI InChI=1S/C23H27N5O/c29-20-10-5-17-15-25-23(27-22(17)21(20)16-3-1-2-4-16)26-18-6-8-19(9-7-18)28-13-11-24-12-14-28/h5-10,15-16,24,29H,1-4,11-14H2,(H,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6341
PNG
(2-Aminoquinazoline 20 | 8-cyclopentyl-7-methoxy-N-...)
Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
Show InChI InChI=1S/C24H29N5O/c1-30-21-11-6-18-16-26-24(28-23(18)22(21)17-4-2-3-5-17)27-19-7-9-20(10-8-19)29-14-12-25-13-15-29/h6-11,16-17,25H,2-5,12-15H2,1H3,(H,26,27,28)
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NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6348
PNG
(2-Aminoquinazoline 27 | 8-cyclopentyl-2-{[3-fluoro...)
Show SMILES Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
Show InChI InChI=1S/C23H26FN5O/c24-18-13-17(6-7-19(18)29-11-9-25-10-12-29)27-23-26-14-16-5-8-20(30)21(22(16)28-23)15-3-1-2-4-15/h5-8,13-15,25,30H,1-4,9-12H2,(H,26,27,28)
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NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50077231
PNG
(CHEMBL54091 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C16H11BrFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077230
PNG
(CHEMBL296168 | N-[4-(3-Bromo-phenylamino)-pyrido[3...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)c1
Show InChI InChI=1S/C16H12BrN5O/c1-2-14(23)21-13-7-6-12-15(22-13)16(19-9-18-12)20-11-5-3-4-10(17)8-11/h2-9H,1H2,(H,18,19,20)(H,21,22,23)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077234
PNG
(CHEMBL53665 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)nc23)cc1Br
Show InChI InChI=1S/C16H11BrFN5O/c1-2-14(24)22-13-6-5-12-15(23-13)16(20-8-19-12)21-9-3-4-11(18)10(17)7-9/h2-8H,1H2,(H,19,20,21)(H,22,23,24)
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n/an/a 1.20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077243
PNG
(CHEMBL53637 | N-[4-(3-Chloro-phenylamino)-quinazol...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 1.60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077245
PNG
(CHEMBL297968 | N-(4-m-Tolylamino-quinazolin-7-yl)-...)
Show SMILES Cc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)
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n/an/a 1.60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6302
PNG
(8-cyclopentyl-6-acetyl-5-methyl-2-{[4-(piperazin-1...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O2/c1-16-21-15-27-25(28-18-7-9-19(10-8-18)30-13-11-26-12-14-30)29-23(21)31(20-5-3-4-6-20)24(33)22(16)17(2)32/h7-10,15,20,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6344
PNG
(2-Aminoquinazoline 23 | 2-amino-1-(4-{4-[(8-cyclop...)
Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C1CCCC1
Show InChI InChI=1S/C26H32N6O2/c1-34-22-11-6-19-17-28-26(30-25(19)24(22)18-4-2-3-5-18)29-20-7-9-21(10-8-20)31-12-14-32(15-13-31)23(33)16-27/h6-11,17-18H,2-5,12-16,27H2,1H3,(H,28,29,30)
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NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6343
PNG
(1-(4-{4-[(8-cyclopentyl-7-methoxyquinazolin-2-yl)a...)
Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1
Show InChI InChI=1S/C26H31N5O2/c1-18(32)30-13-15-31(16-14-30)22-10-8-21(9-11-22)28-26-27-17-20-7-12-23(33-2)24(25(20)29-26)19-5-3-4-6-19/h7-12,17,19H,3-6,13-16H2,1-2H3,(H,27,28,29)
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NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060140
PNG
(CHEMBL115943 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-cy...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC(C#N)c1ccccc1
Show InChI InChI=1S/C39H38N6O5/c40-21-33(32-14-8-3-9-15-32)22-42-37(46)25-45(24-29-16-18-35(19-17-29)49-26-30-10-4-1-5-11-30)38(47)36(20-34-23-41-28-43-34)44-39(48)50-27-31-12-6-2-7-13-31/h1-19,23,28,33,36H,20,22,24-27H2,(H,41,43)(H,42,46)(H,44,48)/t33?,36-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245691
PNG
(9-hydroxy-6-(3-(methylamino)propyl)-4-phenylpyrrol...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-25-10-5-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-3-2-4-7-14)21-22(20)24(30)26-23(21)29/h2-4,6-9,12-13,25,28H,5,10-11H2,1H3,(H,26,29,30)
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077231
PNG
(CHEMBL54091 | N-[4-(3-Bromo-4-fluoro-phenylamino)-...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C16H11BrFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)
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n/an/a 2.10n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50077244
PNG
(CHEMBL31815 | N-(4-m-Tolylamino-quinazolin-6-yl)-a...)
Show SMILES Cc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-16-15(10-14)18(20-11-19-16)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)
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n/an/a 2.20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077243
PNG
(CHEMBL53637 | N-[4-(3-Chloro-phenylamino)-quinazol...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 2.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077238
PNG
(CHEMBL280757 | N-[4-(3-Bromo-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Br
Show InChI InChI=1S/C17H12BrFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)
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n/an/a 2.70n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060144
PNG
(CHEMBL325073 | [(S)-1-{(4-Benzyloxy-benzyl)-[((R)-...)
Show SMILES C[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H41N5O5/c1-29(21-30-11-5-2-6-12-30)42-37(45)25-44(24-31-17-19-35(20-18-31)48-26-32-13-7-3-8-14-32)38(46)36(22-34-23-40-28-41-34)43-39(47)49-27-33-15-9-4-10-16-33/h2-20,23,28-29,36H,21-22,24-27H2,1H3,(H,40,41)(H,42,45)(H,43,47)/t29-,36+/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245342
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-hydroxy-3-(methy...)
Show SMILES CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O4/c1-26-10-13(30)11-28-18-7-6-12(29)8-16(18)20-19(28)9-15(14-4-2-3-5-17(14)25)21-22(20)24(32)27-23(21)31/h2-9,13,26,29-30H,10-11H2,1H3,(H,27,31,32)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50077241
PNG
(CHEMBL53555 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C16H11ClFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)
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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6346
PNG
(2-Aminoquinazoline 25 | 8-cyclopentyl-2-{[4-(morph...)
Show SMILES Oc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
Show InChI InChI=1S/C23H26N4O2/c28-20-10-5-17-15-24-23(26-22(17)21(20)16-3-1-2-4-16)25-18-6-8-19(9-7-18)27-11-13-29-14-12-27/h5-10,15-16,28H,1-4,11-14H2,(H,24,25,26)
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NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077242
PNG
(CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)
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n/an/a 3.10n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077241
PNG
(CHEMBL53555 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C16H11ClFN5O/c1-2-15(24)23-14-6-10-13(7-19-14)20-8-21-16(10)22-9-3-4-12(18)11(17)5-9/h2-8H,1H2,(H,19,23,24)(H,20,21,22)
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n/an/a 3.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4777
PNG
(4-Anilinopyrido[3,4-d]pyrimidine 3 | CHEMBL51659 |...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18,22,23)(H,19,20,21)
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n/an/a 3.40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077232
PNG
(CHEMBL430571 | N-[4-(4-Benzyloxy-phenylamino)-quin...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C24H20N4O2/c1-2-23(29)27-19-10-13-22-21(14-19)24(26-16-25-22)28-18-8-11-20(12-9-18)30-15-17-6-4-3-5-7-17/h2-14,16H,1,15H2,(H,27,29)(H,25,26,28)
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n/an/a 3.60n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of glutamic acid/tyrosine random copolymer by isolated epidermal growth factor receptor (EGFR)


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4777
PNG
(4-Anilinopyrido[3,4-d]pyrimidine 3 | CHEMBL51659 |...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C16H12BrN5O/c1-2-15(23)22-14-7-12-13(8-18-14)19-9-20-16(12)21-11-5-3-4-10(17)6-11/h2-9H,1H2,(H,18,22,23)(H,19,20,21)
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n/an/a 3.90n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6268
PNG
(8-Cycloheptyl-2-[4-(2-diethylaminoethoxy)phenylami...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)cc1
Show InChI InChI=1S/C26H35N5O2/c1-3-30(4-2)17-18-33-23-14-12-21(13-15-23)28-26-27-19-20-11-16-24(32)31(25(20)29-26)22-9-7-5-6-8-10-22/h11-16,19,22H,3-10,17-18H2,1-2H3,(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060141
PNG
(CHEMBL431440 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-me...)
Show SMILES CC(C)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H43N5O5/c1-40(2,33-16-10-5-11-17-33)28-42-37(46)25-45(24-30-18-20-35(21-19-30)49-26-31-12-6-3-7-13-31)38(47)36(22-34-23-41-29-43-34)44-39(48)50-27-32-14-8-4-9-15-32/h3-21,23,29,36H,22,24-28H2,1-2H3,(H,41,43)(H,42,46)(H,44,48)/t36-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6386
PNG
(8-Cyclopentyl-5-methyl-7-oxo-2-(4-piperazin-1-yl-p...)
Show SMILES COC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C25H30N6O3/c1-16-20-15-27-25(28-17-7-9-18(10-8-17)30-13-11-26-12-14-30)29-22(20)31(19-5-3-4-6-19)23(32)21(16)24(33)34-2/h7-10,15,19,26H,3-6,11-14H2,1-2H3,(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



Pfizer



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 48: 2371-87 (2005)


Article DOI: 10.1021/jm049355+
BindingDB Entry DOI: 10.7270/Q2S46Q5B
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6342
PNG
(2-Aminoquinazoline 21 | 8-cyclopentyl-N-[3-fluoro-...)
Show SMILES COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
Show InChI InChI=1S/C24H28FN5O/c1-31-21-9-6-17-15-27-24(29-23(17)22(21)16-4-2-3-5-16)28-18-7-8-20(19(25)14-18)30-12-10-26-11-13-30/h6-9,14-16,26H,2-5,10-13H2,1H3,(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



NAEJA Pharmaceutical Inc.



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


Bioorg Med Chem Lett 15: 3881-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2WW7FVW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6278
PNG
(8-Cyclohexyl-2-[4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
Show InChI InChI=1S/C24H30N6O/c1-28-13-15-29(16-14-28)20-10-8-19(9-11-20)26-24-25-17-18-7-12-22(31)30(23(18)27-24)21-5-3-2-4-6-21/h7-12,17,21H,2-6,13-16H2,1H3,(H,25,26,27)
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n/an/a 4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research



Assay Description
The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...


J Med Chem 43: 4606-16 (2000)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q25B00N4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077232
PNG
(CHEMBL430571 | N-[4-(4-Benzyloxy-phenylamino)-quin...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C24H20N4O2/c1-2-23(29)27-19-10-13-22-21(14-19)24(26-16-25-22)28-18-8-11-20(12-9-18)30-15-17-6-4-3-5-7-17/h2-14,16H,1,15H2,(H,27,29)(H,25,26,28)
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n/an/a 4.20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50077242
PNG
(CHEMBL31373 | N-[4-(3-Chloro-4-fluoro-phenylamino)...)
Show SMILES Fc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C17H12ClFN4O/c1-2-16(24)22-10-4-6-15-12(7-10)17(21-9-20-15)23-11-3-5-14(19)13(18)8-11/h2-9H,1H2,(H,22,24)(H,20,21,23)
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n/an/a 4.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of heregulin-stimulated autophosphorylation of ERBB2 receptor kinase in MDA-MB-453 cells.


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 4.30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor (EGFR) in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50077237
PNG
(CHEMBL53690 | N-[4-(3-Trifluoromethyl-phenylamino)...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H,1H2,(H,24,26)(H,22,23,25)
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n/an/a 4.5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated autophosphorylation of epidermal growth factor receptor in A431 cells


J Med Chem 42: 1803-15 (1999)


Article DOI: 10.1021/jm9806603
BindingDB Entry DOI: 10.7270/Q2B56HZG
More data for this
Ligand-Target Pair
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