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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor(L858R, T790M)' and Ligand = 'BDBM202391'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202391
PNG
(US10081606, Compound I-23 | US9238629, I-23 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.525



Celgene Avilomics Research, Inc.

US Patent


Assay Description
Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13x ATP (AS001A) and...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202391
PNG
(US10081606, Compound I-23 | US9238629, I-23 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Celgene CAR LLC

US Patent


Assay Description
The mechanics of the assay platform are best described by the vendor (Invitrogen, Carlsbad, Calif.) on their web site at the following URL: www.invit...


US Patent US10081606 (2018)


Article DOI: 10.1021/ja0296733
BindingDB Entry DOI: 10.7270/Q2HH6N3X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202391
PNG
(US10081606, Compound I-23 | US9238629, I-23 | US97...)
Show SMILES COc1cccc(Nc2ncc(c(Oc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c1OC
Show InChI InChI=1S/C22H19F3N4O4/c1-4-18(30)27-13-7-5-8-14(11-13)33-20-15(22(23,24)25)12-26-21(29-20)28-16-9-6-10-17(31-2)19(16)32-3/h4-12H,1H2,2-3H3,(H,27,30)(H,26,28,29)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
To assess phosphor-EGFR signaling, blots were probed with rabbit anti-Phospho-EGFR (Y1068) and mouse total anti-EGFR antibodies. Phospho-EGFR signal ...


US Patent US9238629 (2016)


BindingDB Entry DOI: 10.7270/Q2P849Q7
More data for this
Ligand-Target Pair