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BDBM50166941 CHEMBL3797606

SMILES: COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1

InChI Key: InChIKey=JGVSJOHBWPEWKW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50166941   
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))
BDBM50166941
PNG
(CHEMBL3797606)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N6O3S/c1-5-24(33)28-18-7-6-8-20(15-18)35-25-23(36-4)17-27-26(30-25)29-21-10-9-19(16-22(21)34-3)32-13-11-31(2)12-14-32/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R mutant (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50166941
PNG
(CHEMBL3797606)
Show SMILES COc1cc(ccc1Nc1ncc(SC)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C26H30N6O3S/c1-5-24(33)28-18-7-6-8-20(15-18)35-25-23(36-4)17-27-26(30-25)29-21-10-9-19(16-22(21)34-3)32-13-11-31(2)12-14-32/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,33)(H,27,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 272n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR (unknown origin) expressed in baculovirus expression system after 1 hr by ELISA


Bioorg Med Chem 24: 2673-80 (2016)


Article DOI: 10.1016/j.bmc.2016.04.032
BindingDB Entry DOI: 10.7270/Q26W9D0T
More data for this
Ligand-Target Pair