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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50602105'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50602105
(CHEMBL5199106)
Show SMILES
COc1cc2ncnc3Nc4ccc(Cl)c(OCCOCCOc1cc23)c4
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
493
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI:
10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50602105
(CHEMBL5199106)
Show SMILES
COc1cc2ncnc3Nc4ccc(Cl)c(OCCOCCOc1cc23)c4
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.12E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI:
10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50602105
(CHEMBL5199106)
Show SMILES
COc1cc2ncnc3Nc4ccc(Cl)c(OCCOCCOc1cc23)c4
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI:
10.7270/Q2B280CC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50602105
(CHEMBL5199106)
Show SMILES
COc1cc2ncnc3Nc4ccc(Cl)c(OCCOCCOc1cc23)c4
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c01041
BindingDB Entry DOI:
10.7270/Q2B280CC
More data for this
Ligand-Target Pair
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