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SMILES: O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1ccccc1

InChI Key: InChIKey=PWRVRDCBFYLYFU-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

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 = 50468244   
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))
BDBM50468244
PNG
(CHEMBL4284413)
Show SMILES O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of human wild type EGFR expressed in Sf9 cells in presence of 1 mM ATP by HTRF assay


Eur J Med Chem 142: 32-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.027
BindingDB Entry DOI: 10.7270/Q2T156B8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50468244
PNG
(CHEMBL4284413)
Show SMILES O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



R. C. Patel Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Inhibition of human EGFR L858R mutant expressed in Sf9 cells in presence of 1 mM ATP by HTRF assay


Eur J Med Chem 142: 32-47 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.027
BindingDB Entry DOI: 10.7270/Q2T156B8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)