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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 = 'BDBM50025605'   
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))
BDBM50025605
PNG
(CHEMBL483830)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1cc(O)ccc1O)Cc1cc(O)ccc1O
Show InChI InChI=1S/C21H19NO7/c23-15-2-5-18(25)12(7-15)10-22(11-13-8-16(24)3-6-19(13)26)14-1-4-20(27)17(9-14)21(28)29/h1-9,23-27H,10-11H2,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 25.2n/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


(Mus musculus)
BDBM50025605
PNG
(CHEMBL483830)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1cc(O)ccc1O)Cc1cc(O)ccc1O
Show InChI InChI=1S/C21H19NO7/c23-15-2-5-18(25)12(7-15)10-22(11-13-8-16(24)3-6-19(13)26)14-1-4-20(27)17(9-14)21(28)29/h1-9,23-27H,10-11H2,(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27.7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse EGFR by liquid scintillation counting


Citation and Details

Article DOI: 10.1021/np50066a009
BindingDB Entry DOI: 10.7270/Q2BP05JV
More data for this
Ligand-Target Pair