BindingDB logo
myBDB logout

BDBM50179503 CHEMBL3814812

SMILES: Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1

InChI Key: InChIKey=IYWCOZMVACEZGO-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50179503   
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


(Homo sapiens (Human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>500n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 271n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells assessed as cell growth inhibition after 72 hrs by MTS assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50179503
PNG
(CHEMBL3814812)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1
Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay


Bioorg Med Chem 24: 3501-12 (2016)


Article DOI: 10.1016/j.bmc.2016.05.063
BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair