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BDBM50178157 CHEMBL3813746

SMILES: CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1CCNC(=O)C=C

InChI Key: InChIKey=ZRUKPUSUZXGTPC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50178157   
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)-Homo sapiens (Human))
BDBM50178157
PNG
(CHEMBL3813746)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1CCNC(=O)C=C
Show InChI InChI=1S/C25H29N9O/c1-3-22(35)27-10-13-33-21-7-5-4-6-19(21)31-25(33)23-24(26)28-15-20(30-23)17-14-29-34(16-17)18-8-11-32(2)12-9-18/h3-7,14-16,18H,1,8-13H2,2H3,(H2,26,28)(H,27,35)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 1.49E+4n/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)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50178157
PNG
(CHEMBL3813746)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1CCNC(=O)C=C
Show InChI InChI=1S/C25H29N9O/c1-3-22(35)27-10-13-33-21-7-5-4-6-19(21)31-25(33)23-24(26)28-15-20(30-23)17-14-29-34(16-17)18-8-11-32(2)12-9-18/h3-7,14-16,18H,1,8-13H2,2H3,(H2,26,28)(H,27,35)
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human EGFR T790M/L858R double mutant using biotinylated TK substrate incubated for 50 mins by HTRF as...


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


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair