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PubMed code 27010345

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614390
PNG
(CHEMBL5271106)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]\[#7]=[#6]1\[#6](\[#6]-[#7](-[#6])-[#6]\[#6]\1=[#6]/c1cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c1Br)=[#6]\c1cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 50n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614382
PNG
(CHEMBL5279636)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]2/[#6]-[#7](-[#6])-[#6]/[#6](=[#6]\c3cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c3Br)/[#6]/2=[#7]/[#8])c(Br)c(-[#8]-[#6])c1-[#8]-[#6]
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614381
PNG
(CHEMBL5275872)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]2/[#6]-[#6](-[#6])-[#6]/[#6](=[#6]\c3cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c3Br)/[#6]/2=[#7]/[#8])c(Br)c(-[#8]-[#6])c1-[#8]-[#6]
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614389
PNG
(CHEMBL5281118)
Show SMILES COc1cc(\C=C2/CCc3ccc(cc3/C/2=N/O)[N+]([O-])=O)c(Br)c(OC)c1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614388
PNG
(CHEMBL5281589)
Show SMILES COc1ccc(\C=C2/CCc3ccc(cc3/C/2=N/O)[N+]([O-])=O)c(Cl)c1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614385
PNG
(CHEMBL5278115)
Show SMILES COc1ccc2\C(=N\O)\C(\CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614383
PNG
(CHEMBL5285192)
Show SMILES COc1cc(\C=C2/CC(C)c3ccccc3/C/2=N/O)c(Br)c(OC)c1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614387
PNG
(CHEMBL5287962)
Show SMILES COc1ccc(OC)c2\C(=N\O)\C(\CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614384
PNG
(CHEMBL5286853)
Show SMILES COc1cc(\C=C2/CCc3c(O)cccc3/C/2=N/O)c(Br)c(OC)c1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.60E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50614386
PNG
(CHEMBL5279992)
Show SMILES COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)\C(=N/O)\c2cc1OC
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%