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BDBM50450888 CHEMBL4209368

SMILES: CC(C)n1cnc2c(Nc3cnn(C)c3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12

InChI Key: InChIKey=SJHPNQOMRBXBFI-CYBMUJFWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50450888   
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))		BDBM50450888
PNG
(CHEMBL4209368)
Show SMILES CC(C)n1cnc2c(Nc3cnn(C)c3)nc(N[C@@H]3CCN(C3)C(=O)C=C)nc12 |r|
Show InChI InChI=1S/C19H25N9O/c1-5-15(29)27-7-6-13(10-27)23-19-24-17(22-14-8-21-26(4)9-14)16-18(25-19)28(11-20-16)12(2)3/h5,8-9,11-13H,1,6-7,10H2,2-4H3,(H2,22,23,24,25)/t13-/m1/s1
PDB
MMDB

KEGG

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
 105n/an/an/an/an/an/an/an/a



Wuxi AppTec

Curated by ChEMBL


Assay Description
Inhibition of EGFR T790M/L858R double mutant (unknown origin)

J Med Chem 60: 3002-3019 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01894
BindingDB Entry DOI: 10.7270/Q25X2CJZ
More data for this
Ligand-Target Pair