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SMILES: COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1

InChI Key: InChIKey=BCYOPZGXQUMCPD-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 = 50453888   
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))
BDBM50453888
PNG
(CHEMBL4214588)
Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human EGFR d746-750/T790M/C797S mutant using poly-Glu-Tyr (4:1) as substrate after 2 hrs in presence of [gamma-33P]-ATP by ...


J Med Chem 61: 4290-4300 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01310
BindingDB Entry DOI: 10.7270/Q2VQ358D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50453888
PNG
(CHEMBL4214588)
Show SMILES COC(=O)c1ccc(O)c(c1)-c1nc(NCc2cccnc2)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O3/c1-29-22(28)15-8-9-19(27)17(11-15)21-25-18-7-3-2-6-16(18)20(26-21)24-13-14-5-4-10-23-12-14/h2-12,27H,13H2,1H3,(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant N-terminal GST-tagged human EGFR catalytic domain expressed in Sf9 insect cells using poly-Glu-Tyr (4:1) as subst...


J Med Chem 61: 4290-4300 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01310
BindingDB Entry DOI: 10.7270/Q2VQ358D
More data for this
Ligand-Target Pair