BindingDB logo
myBDB logout

null

SMILES: Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1

InChI Key: InChIKey=WKPZKYPFSUDFMN-UHFFFAOYSA-N

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 2 hits for monomerid = 50179514   
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))
BDBM50179514
PNG
(CHEMBL3814320)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6O2/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(29)23-6-7-28-8-10-30-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,29)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.40n/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)


BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50179514
PNG
(CHEMBL3814320)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)NCCN4CCOCC4)cc23)c1
Show InChI InChI=1S/C21H23BrN6O2/c22-15-2-1-3-16(12-15)26-20-18-13-17(4-5-19(18)24-14-25-20)27-21(29)23-6-7-28-8-10-30-11-9-28/h1-5,12-14H,6-11H2,(H2,23,27,29)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 269n/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)


BindingDB Entry DOI: 10.7270/Q28S4RVV
More data for this
Ligand-Target Pair