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BDBM50245362 2-morpholinoethyl 4-amino-6-(4-(benzyloxy)-3-chlorophenylamino)pyrimidine-5-carboxylate::CHEMBL461113

SMILES: Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCCN1CCOCC1

InChI Key: InChIKey=KTEDMAIKTUKLAP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50245362   
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))
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NS0TPB
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
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
BindingDB Entry DOI: 10.7270/Q2NS0TPB
More data for this
Ligand-Target Pair