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BDBM50409732 CHEMBL141238

SMILES: Cc1cc(C)c(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(C)c1

InChI Key: InChIKey=ZOYSLPZNUAYMBX-OVCLIPMQSA-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 = 50409732   
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))
BDBM50409732
PNG
(CHEMBL141238)
Show SMILES Cc1cc(C)c(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(C)c1
Show InChI InChI=1S/C19H18N2O3/c1-11-6-12(2)18(13(3)7-11)21-19(24)15(10-20)8-14-4-5-16(22)17(23)9-14/h4-9,22-23H,1-3H3,(H,21,24)/b15-8+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity tested against protein kinase HER-2


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50409732
PNG
(CHEMBL141238)
Show SMILES Cc1cc(C)c(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(C)c1
Show InChI InChI=1S/C19H18N2O3/c1-11-6-12(2)18(13(3)7-11)21-19(24)15(10-20)8-14-4-5-16(22)17(23)9-14/h4-9,22-23H,1-3H3,(H,21,24)/b15-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



University of Tennessee Health Sciences Center

Curated by ChEMBL


Assay Description
Inhibitory activity against epidermal growth factor receptor (EGFR)


J Med Chem 46: 4657-68 (2003)


Article DOI: 10.1021/jm030065n
BindingDB Entry DOI: 10.7270/Q2N58NKR
More data for this
Ligand-Target Pair