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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 = 'BDBM50025606'   
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


(Mus musculus)
BDBM50025606
PNG
(LAVENDUSTIN B)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O
Show InChI InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
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MMDB

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KEGG

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MCE
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 1.34E+3n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50025606
PNG
(LAVENDUSTIN B)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1ccccc1O)Cc1ccccc1O
Show InChI InChI=1S/C21H19NO5/c23-18-7-3-1-5-14(18)12-22(13-15-6-2-4-8-19(15)24)16-9-10-20(25)17(11-16)21(26)27/h1-11,23-25H,12-13H2,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.36E+3n/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