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BDBM50159361 CHEMBL3787327

SMILES: Cn1cc(Nc2nc(OC[C@@H]3CCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1

InChI Key: InChIKey=AYBXAEKBNVWBKD-STGVRZAANA-N

Data: 1 KI

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 1 hit for monomerid = 50159361   
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))
BDBM50159361
PNG
(CHEMBL3787327)
Show SMILES Cn1cc(Nc2nc(OC[C@@H]3CCN(C3)C(=O)C=C)c3cc[nH]c3n2)cn1 |r|
Show InChI InChI=1/C18H21N7O2/c1-3-15(26)25-7-5-12(9-25)11-27-17-14-4-6-19-16(14)22-18(23-17)21-13-8-20-24(2)10-13/h3-4,6,8,10,12H,1,5,7,9,11H2,2H3,(H2,19,21,22,23)/t12-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
590n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible binding affinity to human EGFR L858R/ T790M double mutant expressed in baculovirus by fluorometric analysis


J Med Chem 59: 2005-24 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TDD
More data for this
Ligand-Target Pair