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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50065271'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50065271
PNG
(3-(4-hydroxy-3,5-diisopropylbenzylidene)indolin-2-...)
Show SMILES CC(C)c1cc(\C=C2/C(=O)Nc3ccccc23)cc(C(C)C)c1O
Show InChI InChI=1S/C21H23NO2/c1-12(2)16-9-14(10-17(13(3)4)20(16)23)11-18-15-7-5-6-8-19(15)22-21(18)24/h5-13,23H,1-4H3,(H,22,24)/b18-11-
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



SUGEN, Inc.

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition of tyrosine phosphorylation on human Epidermal growth factor receptor (EGF RTK).


J Med Chem 41: 2588-603 (1998)


Article DOI: 10.1021/jm980123i
BindingDB Entry DOI: 10.7270/Q2G73CTT
More data for this
Ligand-Target Pair