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BDBM50245364 4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2-(piperidin-1-yl)ethyl)pyrimidine-5-carboxamide::CHEMBL462343

SMILES: Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1

InChI Key: InChIKey=BQGLDSZPKUBDDR-UHFFFAOYSA-N

Data: 4 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50245364   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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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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 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
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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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
BindingDB Entry DOI: 10.7270/Q2NS0TPB
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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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
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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Article
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 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