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BDBM202371 US10081606, Compound I-3::US9238629, I-3::US9765038, Compound I-3

SMILES: COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1

InChI Key: InChIKey=ARWJHMPQGVRJGR-UHFFFAOYSA-N

Data: 6 IC50  4 EC50

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 10 hits for monomerid = 202371   
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(L858R, T790M)


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/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
Epidermal growth factor receptor (EGFR) (delE756-A750)


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 55n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/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 US9765038 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/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)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/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 US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM202371
PNG
(US10081606, Compound I-3 | US9238629, I-3 | US9765...)
Show SMILES COc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C22H20F3N5O3/c1-4-19(31)27-13-6-5-7-14(10-13)28-20-16(22(23,24)25)12-26-21(30-20)29-17-9-8-15(32-2)11-18(17)33-3/h4-12H,1H2,2-3H3,(H,27,31)(H2,26,28,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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