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BDBM202370 US10081606, Compound I-2::US9238629, I-2::US9765038, Compound I-2

SMILES: COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F

InChI Key: InChIKey=KGGXRCWBXUHQBM-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 = 202370   
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 (EGFR) (delE756-A750)


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<10n/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(L858R, T790M)


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
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


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
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
Epidermal growth factor receptor (T790M/L858R)


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Celgene CAR LLC

US Patent




US Patent US9765038 (2017)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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(L858R, T790M)


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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


(Homo sapiens (Human))
BDBM202370
PNG
(US10081606, Compound I-2 | US9238629, I-2 | US9765...)
Show SMILES COc1ccccc1Nc1ncc(c(Oc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N4O3/c1-3-18(29)26-13-7-6-8-14(11-13)31-19-15(21(22,23)24)12-25-20(28-19)27-16-9-4-5-10-17(16)30-2/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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