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BDBM318866 N-(3-(2-((4-morpholinophenyl)amino)quinazolin-8-yl)phenyl)acrylamide::US10172868, Compound C001::US10653701, Compound C001

SMILES: C=CC(=O)Nc1cccc(c1)-c1cccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12

InChI Key: InChIKey=UGBCGKJUUJFYHF-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 3 hits for monomerid = 318866   
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))
BDBM318866
PNG
(N-(3-(2-((4-morpholinophenyl)amino)quinazolin-8-yl...)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C27H25N5O2/c1-2-25(33)29-22-7-3-5-19(17-22)24-8-4-6-20-18-28-27(31-26(20)24)30-21-9-11-23(12-10-21)32-13-15-34-16-14-32/h2-12,17-18H,1,13-16H2,(H,29,33)(H,28,30,31)
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
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))
US11304957, Compound C001
PNG
(N-(3-(2-((4-morpholinophenyl)amino)quinazolin-8-yl...)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C27H25N5O2/c1-2-25(33)29-22-7-3-5-19(17-22)24-8-4-6-20-18-28-27(31-26(20)24)30-21-9-11-23(12-10-21)32-13-15-34-16-14-32/h2-12,17-18H,1,13-16H2,(H,29,33)(H,28,30,31)
PDB
MMDB

KEGG

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


TBA



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


(Homo sapiens (Human))
BDBM318866
PNG
(N-(3-(2-((4-morpholinophenyl)amino)quinazolin-8-yl...)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1cccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C27H25N5O2/c1-2-25(33)29-22-7-3-5-19(17-22)24-8-4-6-20-18-28-27(31-26(20)24)30-21-9-11-23(12-10-21)32-13-15-34-16-14-32/h2-12,17-18H,1,13-16H2,(H,29,33)(H,28,30,31)
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