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SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4OC)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

InChI Key: InChIKey=YBXSDKSXXVAXIS-DHZHZOJOSA-N

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 = 50161915   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50161915
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4OC)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C32H32ClN5O4/c1-5-41-30-17-26-24(16-27(30)37-31(39)11-8-14-38(2)3)32(22(18-34)19-35-26)36-23-12-13-29(25(33)15-23)42-20-21-9-6-7-10-28(21)40-4/h6-13,15-17,19H,5,14,20H2,1-4H3,(H,35,36)(H,37,39)/b11-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor (EGFR) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50161915
PNG
(4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(2...)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4OC)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Show InChI InChI=1S/C32H32ClN5O4/c1-5-41-30-17-26-24(16-27(30)37-31(39)11-8-14-38(2)3)32(22(18-34)19-35-26)36-23-12-13-29(25(33)15-23)42-20-21-9-6-7-10-28(21)40-4/h6-13,15-17,19H,5,14,20H2,1-4H3,(H,35,36)(H,37,39)/b11-8+
PDB
MMDB

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor-2 (HER-2) autophosphorylation


J Med Chem 48: 1107-31 (2005)


Article DOI: 10.1021/jm040159c
BindingDB Entry DOI: 10.7270/Q2BP03KG
More data for this
Ligand-Target Pair