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SMILES: CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=AJAYMEAWIMWBDE-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 3 hits for monomerid = 50177906   
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/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50177906
PNG
(CHEMBL3815124)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H29N9O2/c1-3-27(41)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-30(39)28-29(31)32-17-25(35-28)20-16-33-38(18-20)22-11-13-37(14-12-22)19(2)40/h3-10,15-18,22H,1,11-14H2,2H3,(H2,31,32)(H,34,41)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 23n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR exon19 deletion activating mutant autophosphorylation in human PC9 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177906
PNG
(CHEMBL3815124)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H29N9O2/c1-3-27(41)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-30(39)28-29(31)32-17-25(35-28)20-16-33-38(18-20)22-11-13-37(14-12-22)19(2)40/h3-10,15-18,22H,1,11-14H2,2H3,(H2,31,32)(H,34,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 3.51E+3n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR autophosphorylation in human LoVo cells incubated for 2 hrs followed by EGF-stiumlation for 10 mins by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2/Receptor tyrosine-protein kinase erbB-3/Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50177906
PNG
(CHEMBL3815124)
Show SMILES CC(=O)N1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C30H29N9O2/c1-3-27(41)34-21-7-6-8-23(15-21)39-26-10-5-4-9-24(26)36-30(39)28-29(31)32-17-25(35-28)20-16-33-38(18-20)22-11-13-37(14-12-22)19(2)40/h3-10,15-18,22H,1,11-14H2,2H3,(H2,31,32)(H,34,41)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 22n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant autophosphorylation in human NCI-H1975 cells incubated for 2 hrs by ELISA


ACS Med Chem Lett 7: 514-9 (2016)


BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair