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BDBM50245407 4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)-N-(2-morpholinoethyl)pyrimidine-5-carboxamide::CHEMBL518646

SMILES: Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1

InChI Key: InChIKey=OUKDWNYVCNEMPJ-UHFFFAOYSA-N

Data: 4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50245407   
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))
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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PC sid
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

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


(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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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

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))
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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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

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/Targeting protein for Xklp2


(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)
PDB
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NCI pathway
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PC sid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

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