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SMILES: CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 536922   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [1-773,'NPH',774-1210]


(Homo sapiens (Human))
BDBM536922
PNG
(US11896597, Compound 47)
Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.60n/an/an/an/an/an/a



Wyeth Research





J Med Chem 50: 4728-45 (2007)


BindingDB Entry DOI: 10.7270/Q2S75JMR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [1-769,'ASV',770-1210]


(Homo sapiens (Human))
BDBM536922
PNG
(US11896597, Compound 47)
Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.1n/an/an/an/an/an/a



Wyeth Research





J Med Chem 50: 4728-45 (2007)


BindingDB Entry DOI: 10.7270/Q2S75JMR
More data for this
Ligand-Target Pair
egfr wt


(Homo sapiens (Human))
BDBM536922
PNG
(US11896597, Compound 47)
Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23.8n/an/an/an/an/an/a



Wyeth Research





J Med Chem 50: 4728-45 (2007)


BindingDB Entry DOI: 10.7270/Q2S75JMR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255]


(Homo sapiens (Human))
BDBM536922
PNG
(US11896597, Compound 47)
Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



Wyeth Research





J Med Chem 50: 4728-45 (2007)


BindingDB Entry DOI: 10.7270/Q2S75JMR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM536922
PNG
(US11896597, Compound 47)
Show SMILES CCOC(=O)c1csc(n1)-n1nc(c(Cc2ccc(c(F)c2)S(N)(=O)=O)c1C1CC1)-c1ccc(F)c(c1)-c1ccc(C)cc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/an/an/an/an/an/a



Wyeth Research





J Med Chem 50: 4728-45 (2007)


BindingDB Entry DOI: 10.7270/Q2S75JMR
More data for this
Ligand-Target Pair