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BDBM318882 N-(4-fluoro-3-(2-((4-(4-methylpiperazin-1-yl)phenyl)amino)quinazolin-8-yl)phenyl)acrylamide::US10172868, Compound C067::US10653701, Compound C067

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cc(NC(=O)C=C)ccc4F)c3n2)cc1

InChI Key: InChIKey=VVTRDVWQQQVVON-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 = 318882   
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 [T790M,L858R]


(Homo sapiens (Human))
BDBM318882
PNG
(N-(4-fluoro-3-(2-((4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cc(NC(=O)C=C)ccc4F)c3n2)cc1
Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-9-12-25(29)24(17-21)23-6-4-5-19-18-30-28(33-27(19)23)32-20-7-10-22(11-8-20)35-15-13-34(2)14-16-35/h3-12,17-18H,1,13-16H2,2H3,(H,31,36)(H,30,32,33)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
BDBM318882
PNG
(N-(4-fluoro-3-(2-((4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cc(NC(=O)C=C)ccc4F)c3n2)cc1
Show InChI InChI=1S/C28H27FN6O/c1-3-26(36)31-21-9-12-25(29)24(17-21)23-6-4-5-19-18-30-28(33-27(19)23)32-20-7-10-22(11-8-20)35-15-13-34(2)14-16-35/h3-12,17-18H,1,13-16H2,2H3,(H,31,36)(H,30,32,33)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair