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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [T790M]' and Ligand = 'BDBM397144'   
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 [T790M]


(Homo sapiens (Human))
BDBM397144
PNG
(US10596172, Compound I-4 | US10828300, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...


Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q2NV9MM2
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))
BDBM397144
PNG
(US10596172, Compound I-4 | US10828300, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Celgene CAR LLC

US Patent


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


US Patent US10596172 (2020)


BindingDB Entry DOI: 10.7270/Q2VM4G9X
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M]


(Homo sapiens (Human))
BDBM397144
PNG
(US10596172, Compound I-4 | US10828300, Compound I-...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
Show InChI InChI=1S/C23H25FN6O/c1-16-7-4-8-17(13-16)27-22-20(24)15-25-23(29-22)28-19-10-5-9-18(14-19)26-21(31)11-6-12-30(2)3/h4-11,13-15H,12H2,1-3H3,(H,26,31)(H2,25,27,28,29)/b11-6+
PDB
MMDB

UniProtKB/SwissProt

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


TBA

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


Citation and Details

BindingDB Entry DOI: 10.7270/Q2X92FHZ
More data for this
Ligand-Target Pair