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BDBM50308942 4-(Bis(2-chloroethyl)amino)-N-(3-morpholinopropyl)benzamide::CHEMBL589846

SMILES: ClCCN(CCCl)c1ccc(cc1)C(=O)NCCCN1CCOCC1

InChI Key: InChIKey=ZINSNBBECNZPOC-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50308942   
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))
BDBM50308942
PNG
(4-(Bis(2-chloroethyl)amino)-N-(3-morpholinopropyl)...)
Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C18H27Cl2N3O2/c19-6-10-23(11-7-20)17-4-2-16(3-5-17)18(24)21-8-1-9-22-12-14-25-15-13-22/h2-5H,1,6-15H2,(H,21,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HER2 expressed in Sf9-baculovirus system by ELISA


Bioorg Med Chem 18: 880-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.037
BindingDB Entry DOI: 10.7270/Q2WH2Q3N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50308942
PNG
(4-(Bis(2-chloroethyl)amino)-N-(3-morpholinopropyl)...)
Show SMILES ClCCN(CCCl)c1ccc(cc1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C18H27Cl2N3O2/c19-6-10-23(11-7-20)17-4-2-16(3-5-17)18(24)21-8-1-9-22-12-14-25-15-13-22/h2-5H,1,6-15H2,(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR expressed in Sf9-baculovirus system by ELISA


Bioorg Med Chem 18: 880-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.037
BindingDB Entry DOI: 10.7270/Q2WH2Q3N
More data for this
Ligand-Target Pair