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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50245445   
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
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
BindingDB Entry DOI: 10.7270/Q2NS0TPB
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
BindingDB Entry DOI: 10.7270/Q2NS0TPB
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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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 VEGFR2 (unknown origin)


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


Article DOI: 10.1016/j.bmcl.2008.07.057
BindingDB Entry DOI: 10.7270/Q2NS0TPB
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
BindingDB Entry DOI: 10.7270/Q2NS0TPB
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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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 CDK1 (unknown origin)


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


Article DOI: 10.1016/j.bmcl.2008.07.057
BindingDB Entry DOI: 10.7270/Q2NS0TPB
More data for this
Ligand-Target Pair