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PubMed code 18678484

Compile data set for download or QSAR
Found 57 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))
BDBM50245444
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C#N
Show InChI InChI=1S/C18H14ClN5O/c19-15-8-13(24-18-14(9-20)17(21)22-11-23-18)6-7-16(15)25-10-12-4-2-1-3-5-12/h1-8,11H,10H2,(H3,21,22,23,24)
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n/an/a 27n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245472
PNG
(CHEMBL472545 | N-(4-Benzyloxy-3-chloro-phenyl)-5-[...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Show InChI InChI=1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30)
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n/an/a 30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245323
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(O)=O
Show InChI InChI=1S/C18H15ClN4O3/c19-13-8-12(23-17-15(18(24)25)16(20)21-10-22-17)6-7-14(13)26-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,24,25)(H3,20,21,22,23)
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n/an/a 41n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245361
PNG
(CHEMBL516487 | methyl 4-amino-6-(4-(benzyloxy)-3-c...)
Show SMILES COC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H17ClN4O3/c1-26-19(25)16-17(21)22-11-23-18(16)24-13-7-8-15(14(20)9-13)27-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,21,22,23,24)
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n/an/a 54n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245363
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-ph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O2/c25-19-13-18(11-12-20(19)32-14-16-7-3-1-4-8-16)29-23-21(22(26)27-15-28-23)24(31)30-17-9-5-2-6-10-17/h1-13,15H,14H2,(H,30,31)(H3,26,27,28,29)
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n/an/a 76n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245322
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C=O
Show InChI InChI=1S/C18H15ClN4O2/c19-15-8-13(23-18-14(9-24)17(20)21-11-22-18)6-7-16(15)25-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H3,20,21,22,23)
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n/an/a 76n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245472
PNG
(CHEMBL472545 | N-(4-Benzyloxy-3-chloro-phenyl)-5-[...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Show InChI InChI=1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30)
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n/an/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245361
PNG
(CHEMBL516487 | methyl 4-amino-6-(4-(benzyloxy)-3-c...)
Show SMILES COC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H17ClN4O3/c1-26-19(25)16-17(21)22-11-23-18(16)24-13-7-8-15(14(20)9-13)27-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H3,21,22,23,24)
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n/an/a 100n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245445
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c19-13-8-12(6-7-14(13)27-9-11-4-2-1-3-5-11)24-17-15(18(26)25-21)16(20)22-10-23-17/h1-8,10H,9,21H2,(H,25,26)(H3,20,22,23,24)
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n/an/a 146n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245362
PNG
(2-morpholinoethyl 4-amino-6-(4-(benzyloxy)-3-chlor...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C24H26ClN5O4/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)29-23-21(22(26)27-16-28-23)24(31)33-13-10-30-8-11-32-12-9-30/h1-7,14,16H,8-13,15H2,(H3,26,27,28,29)
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n/an/a 150n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245445
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c19-13-8-12(6-7-14(13)27-9-11-4-2-1-3-5-11)24-17-15(18(26)25-21)16(20)22-10-23-17/h1-8,10H,9,21H2,(H,25,26)(H3,20,22,23,24)
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n/an/a 458n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245444
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C#N
Show InChI InChI=1S/C18H14ClN5O/c19-15-8-13(24-18-14(9-20)17(21)22-11-23-18)6-7-16(15)25-10-12-4-2-1-3-5-12/h1-8,11H,10H2,(H3,21,22,23,24)
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n/an/a 470n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50245471
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N'-(...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
Show InChI InChI=1S/C25H28ClN7O4/c26-19-14-18(6-7-20(19)37-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25(35)32-31-21(34)8-9-33-10-12-36-13-11-33/h1-7,14,16H,8-13,15H2,(H,31,34)(H,32,35)(H3,27,28,29,30)
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n/an/a 620n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245363
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-ph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O2/c25-19-13-18(11-12-20(19)32-14-16-7-3-1-4-8-16)29-23-21(22(26)27-15-28-23)24(31)30-17-9-5-2-6-10-17/h1-13,15H,14H2,(H,30,31)(H3,26,27,28,29)
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n/an/a 776n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245323
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(O)=O
Show InChI InChI=1S/C18H15ClN4O3/c19-13-8-12(23-17-15(18(24)25)16(20)21-10-22-17)6-7-14(13)26-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,24,25)(H3,20,21,22,23)
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n/an/a 776n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245362
PNG
(2-morpholinoethyl 4-amino-6-(4-(benzyloxy)-3-chlor...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCCN1CCOCC1
Show InChI InChI=1S/C24H26ClN5O4/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)29-23-21(22(26)27-16-28-23)24(31)33-13-10-30-8-11-32-12-9-30/h1-7,14,16H,8-13,15H2,(H3,26,27,28,29)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245471
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N'-(...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
Show InChI InChI=1S/C25H28ClN7O4/c26-19-14-18(6-7-20(19)37-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25(35)32-31-21(34)8-9-33-10-12-36-13-11-33/h1-7,14,16H,8-13,15H2,(H,31,34)(H,32,35)(H3,27,28,29,30)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245443
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(4...)
Show SMILES COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245445
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c19-13-8-12(6-7-14(13)27-9-11-4-2-1-3-5-11)24-17-15(18(26)25-21)16(20)22-10-23-17/h1-8,10H,9,21H2,(H,25,26)(H3,20,22,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245445
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c19-13-8-12(6-7-14(13)27-9-11-4-2-1-3-5-11)24-17-15(18(26)25-21)16(20)22-10-23-17/h1-8,10H,9,21H2,(H,25,26)(H3,20,22,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245364
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C25H29ClN6O2/c26-20-15-19(9-10-21(20)34-16-18-7-3-1-4-8-18)31-24-22(23(27)29-17-30-24)25(33)28-11-14-32-12-5-2-6-13-32/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2,(H,28,33)(H3,27,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245407
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245442
PNG
(3-fluorobenzyl 4-amino-6-(4-(benzyloxy)-3-chloroph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C25H20ClFN4O3/c26-20-12-19(9-10-21(20)33-13-16-5-2-1-3-6-16)31-24-22(23(28)29-15-30-24)25(32)34-14-17-7-4-8-18(27)11-17/h1-12,15H,13-14H2,(H3,28,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245410
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N,N-...)
Show SMILES CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-3-28(4-2)22(29)19-20(24)25-14-26-21(19)27-16-10-11-18(17(23)12-16)30-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H3,24,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245471
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N'-(...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
Show InChI InChI=1S/C25H28ClN7O4/c26-19-14-18(6-7-20(19)37-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25(35)32-31-21(34)8-9-33-10-12-36-13-11-33/h1-7,14,16H,8-13,15H2,(H,31,34)(H,32,35)(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245408
PNG
(CHEMBL461115 | N-(4-methoxyphenethyl)-4-amino-6-(4...)
Show SMILES COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-35-21-10-7-18(8-11-21)13-14-30-27(34)24-25(29)31-17-32-26(24)33-20-9-12-23(22(28)15-20)36-16-19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,30,34)(H3,29,31,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245442
PNG
(3-fluorobenzyl 4-amino-6-(4-(benzyloxy)-3-chloroph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C25H20ClFN4O3/c26-20-12-19(9-10-21(20)33-13-16-5-2-1-3-6-16)31-24-22(23(28)29-15-30-24)25(32)34-14-17-7-4-8-18(27)11-17/h1-12,15H,13-14H2,(H3,28,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245364
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C25H29ClN6O2/c26-20-15-19(9-10-21(20)34-16-18-7-3-1-4-8-18)31-24-22(23(27)29-17-30-24)25(33)28-11-14-32-12-5-2-6-13-32/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2,(H,28,33)(H3,27,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245472
PNG
(CHEMBL472545 | N-(4-Benzyloxy-3-chloro-phenyl)-5-[...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Show InChI InChI=1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245409
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245363
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-ph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O2/c25-19-13-18(11-12-20(19)32-14-16-7-3-1-4-8-16)29-23-21(22(26)27-15-28-23)24(31)30-17-9-5-2-6-10-17/h1-13,15H,14H2,(H,30,31)(H3,26,27,28,29)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245472
PNG
(CHEMBL472545 | N-(4-Benzyloxy-3-chloro-phenyl)-5-[...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Show InChI InChI=1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245445
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrim...)
Show SMILES NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c19-13-8-12(6-7-14(13)27-9-11-4-2-1-3-5-11)24-17-15(18(26)25-21)16(20)22-10-23-17/h1-8,10H,9,21H2,(H,25,26)(H3,20,22,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245364
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C25H29ClN6O2/c26-20-15-19(9-10-21(20)34-16-18-7-3-1-4-8-18)31-24-22(23(27)29-17-30-24)25(33)28-11-14-32-12-5-2-6-13-32/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2,(H,28,33)(H3,27,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245443
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(4...)
Show SMILES COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245407
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245442
PNG
(3-fluorobenzyl 4-amino-6-(4-(benzyloxy)-3-chloroph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C25H20ClFN4O3/c26-20-12-19(9-10-21(20)33-13-16-5-2-1-3-6-16)31-24-22(23(28)29-15-30-24)25(32)34-14-17-7-4-8-18(27)11-17/h1-12,15H,13-14H2,(H3,28,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245408
PNG
(CHEMBL461115 | N-(4-methoxyphenethyl)-4-amino-6-(4...)
Show SMILES COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-35-21-10-7-18(8-11-21)13-14-30-27(34)24-25(29)31-17-32-26(24)33-20-9-12-23(22(28)15-20)36-16-19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,30,34)(H3,29,31,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245410
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N,N-...)
Show SMILES CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-3-28(4-2)22(29)19-20(24)25-14-26-21(19)27-16-10-11-18(17(23)12-16)30-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H3,24,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245443
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(4...)
Show SMILES COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245407
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245409
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245471
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N'-(...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
Show InChI InChI=1S/C25H28ClN7O4/c26-19-14-18(6-7-20(19)37-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25(35)32-31-21(34)8-9-33-10-12-36-13-11-33/h1-7,14,16H,8-13,15H2,(H,31,34)(H,32,35)(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245409
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245471
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N'-(...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
Show InChI InChI=1S/C25H28ClN7O4/c26-19-14-18(6-7-20(19)37-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25(35)32-31-21(34)8-9-33-10-12-36-13-11-33/h1-7,14,16H,8-13,15H2,(H,31,34)(H,32,35)(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245442
PNG
(3-fluorobenzyl 4-amino-6-(4-(benzyloxy)-3-chloroph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C25H20ClFN4O3/c26-20-12-19(9-10-21(20)33-13-16-5-2-1-3-6-16)31-24-22(23(28)29-15-30-24)25(32)34-14-17-7-4-8-18(27)11-17/h1-12,15H,13-14H2,(H3,28,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245408
PNG
(CHEMBL461115 | N-(4-methoxyphenethyl)-4-amino-6-(4...)
Show SMILES COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-35-21-10-7-18(8-11-21)13-14-30-27(34)24-25(29)31-17-32-26(24)33-20-9-12-23(22(28)15-20)36-16-19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,30,34)(H3,29,31,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245410
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N,N-...)
Show SMILES CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-3-28(4-2)22(29)19-20(24)25-14-26-21(19)27-16-10-11-18(17(23)12-16)30-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H3,24,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245363
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-ph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O2/c25-19-13-18(11-12-20(19)32-14-16-7-3-1-4-8-16)29-23-21(22(26)27-15-28-23)24(31)30-17-9-5-2-6-10-17/h1-13,15H,14H2,(H,30,31)(H3,26,27,28,29)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245409
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C21H22ClN5O3/c1-29-10-9-24-21(28)18-19(23)25-13-26-20(18)27-15-7-8-17(16(22)11-15)30-12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)(H3,23,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245410
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N,N-...)
Show SMILES CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C22H24ClN5O2/c1-3-28(4-2)22(29)19-20(24)25-14-26-21(19)27-16-10-11-18(17(23)12-16)30-13-15-8-6-5-7-9-15/h5-12,14H,3-4,13H2,1-2H3,(H3,24,25,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245364
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C25H29ClN6O2/c26-20-15-19(9-10-21(20)34-16-18-7-3-1-4-8-18)31-24-22(23(27)29-17-30-24)25(33)28-11-14-32-12-5-2-6-13-32/h1,3-4,7-10,15,17H,2,5-6,11-14,16H2,(H,28,33)(H3,27,29,30,31)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245408
PNG
(CHEMBL461115 | N-(4-methoxyphenethyl)-4-amino-6-(4...)
Show SMILES COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C27H26ClN5O3/c1-35-21-10-7-18(8-11-21)13-14-30-27(34)24-25(29)31-17-32-26(24)33-20-9-12-23(22(28)15-20)36-16-19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,30,34)(H3,29,31,32,33)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50245443
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(4...)
Show SMILES COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Show InChI InChI=1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of HER2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50245472
PNG
(CHEMBL472545 | N-(4-Benzyloxy-3-chloro-phenyl)-5-[...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Show InChI InChI=1S/C25H26ClN7O3/c26-19-14-18(6-7-20(19)35-15-17-4-2-1-3-5-17)30-24-22(23(27)28-16-29-24)25-32-31-21(36-25)8-9-33-10-12-34-13-11-33/h1-7,14,16H,8-13,15H2,(H3,27,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245407
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C24H27ClN6O3/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)30-23-21(22(26)28-16-29-23)24(32)27-8-9-31-10-12-33-13-11-31/h1-7,14,16H,8-13,15H2,(H,27,32)(H3,26,28,29,30)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
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))
BDBM50245363
PNG
(4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-ph...)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H20ClN5O2/c25-19-13-18(11-12-20(19)32-14-16-7-3-1-4-8-16)29-23-21(22(26)27-15-28-23)24(31)30-17-9-5-2-6-10-17/h1-13,15H,14H2,(H,30,31)(H3,26,27,28,29)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


Bioorg Med Chem Lett 18: 4896-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.057
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%