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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 = 'BDBM50237141'   
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))
BDBM50237141
PNG
(CHEMBL4082000)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N6O2/c1-6-27(39)33-23-16-24(26(40-5)17-25(23)38(4)13-12-37(2)3)34-28-21-11-10-19(15-22(21)35-36-28)18-8-7-9-20(14-18)29(30,31)32/h6-11,14-17H,1,12-13H2,2-5H3,(H,33,39)(H2,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Neuronal sodium channel blocking activity by [14C]guanidinium flux assay


J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
BindingDB Entry DOI: 10.7270/Q2FB556R
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237141
PNG
(CHEMBL4082000)
Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H31F3N6O2/c1-6-27(39)33-23-16-24(26(40-5)17-25(23)38(4)13-12-37(2)3)34-28-21-11-10-19(15-22(21)35-36-28)18-8-7-9-20(14-18)29(30,31)32/h6-11,14-17H,1,12-13H2,2-5H3,(H,33,39)(H2,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 3.54E+3n/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR in human A431 cells assessed as reduction in cell viability after 96 hrs by CellTiterGlo assay


J Med Chem 60: 2361-2372 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01626
BindingDB Entry DOI: 10.7270/Q2FB556R
More data for this
Ligand-Target Pair