BindingDB logo
myBDB logout

Patent code US10300058

Compile Data Set for Download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
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
EGFR (d746-750)-T790M


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
EGFR (d746-750)-T790M


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391733
PNG
(N-(3-((2-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H27F3N6O3/c1-4-25(39)33-20-6-5-7-21(15-20)34-26-22(28(29,30)31)16-32-27(36-26)35-23-9-8-19(14-24(23)40-3)18-10-12-37(13-11-18)17(2)38/h4-10,14-16H,1,11-13H2,2-3H3,(H,33,39)(H2,32,34,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
EGFR (E746-A750del)


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391731
PNG
(US10300058, Compound 1 | pyrimidin-4-yl)amino)pyri...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H27F3N8O3/c1-4-23(39)33-21-6-5-7-22(32-21)34-24-18(26(27,28)29)15-30-25(35-24)31-19-9-8-17(14-20(19)40-3)37-12-10-36(11-13-37)16(2)38/h4-9,14-15H,1,10-13H2,2-3H3,(H3,30,31,32,33,34,35,39)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391732
PNG
(US10300058, Compound 2 | acrylamide )
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H29F3N6O3/c1-4-25(39)33-20-6-5-7-21(15-20)34-26-22(28(29,30)31)16-32-27(36-26)35-23-9-8-19(14-24(23)40-3)18-10-12-37(13-11-18)17(2)38/h4-9,14-16,18H,1,10-13H2,2-3H3,(H,33,39)(H2,32,34,35,36)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.20n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391735
PNG
(N-(6-((2-((4-(1-acetylpiperidin-4-yl)-2-methoxyphe...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)34-22-6-5-7-23(33-22)35-25-19(27(28,29)30)15-31-26(36-25)32-20-9-8-18(14-21(20)40-3)17-10-12-37(13-11-17)16(2)38/h4-9,14-15,17H,1,10-13H2,2-3H3,(H3,31,32,33,34,35,36,39)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391736
PNG
(N-(6-((2-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H26F3N7O3/c1-4-24(39)34-22-6-5-7-23(33-22)35-25-19(27(28,29)30)15-31-26(36-25)32-20-9-8-18(14-21(20)40-3)17-10-12-37(13-11-17)16(2)38/h4-10,14-15H,1,11-13H2,2-3H3,(H3,31,32,33,34,35,36,39)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.80n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
EGFR(L858R)


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391734
PNG
(N-(3-((2-((2-acetyl-7-methoxy-1,2,3,4-tetrahydrois...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C26H25F3N6O3/c1-4-23(37)31-18-6-5-7-19(12-18)32-24-20(26(27,28)29)13-30-25(34-24)33-21-10-16-8-9-35(15(2)36)14-17(16)11-22(21)38-3/h4-7,10-13H,1,8-9,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
EGFR (E746-A750del)


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
EGFR(L858R)


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 88n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 145n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 180n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 180n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM391744
PNG
(N-(3-((2-((2-methoxy-4-(1-methylpiperidin-4-yl)phe...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C27H29F3N6O2/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)38-3)17-10-12-36(2)13-11-17/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391731
PNG
(US10300058, Compound 1 | pyrimidin-4-yl)amino)pyri...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C26H27F3N8O3/c1-4-23(39)33-21-6-5-7-22(32-21)34-24-18(26(27,28)29)15-30-25(35-24)31-19-9-8-17(14-20(19)40-3)37-12-10-36(11-13-37)16(2)38/h4-9,14-15H,1,10-13H2,2-3H3,(H3,30,31,32,33,34,35,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 323n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391735
PNG
(N-(6-((2-((4-(1-acetylpiperidin-4-yl)-2-methoxyphe...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)34-22-6-5-7-23(33-22)35-25-19(27(28,29)30)15-31-26(36-25)32-20-9-8-18(14-21(20)40-3)17-10-12-37(13-11-17)16(2)38/h4-9,14-15,17H,1,10-13H2,2-3H3,(H3,31,32,33,34,35,36,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 423n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391741
PNG
(US10300058, Compound 26 | pyrimidin-4-yl)amino)phe...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CCF)CC1
Show InChI InChI=1S/C28H30F4N6O2/c1-3-25(39)34-20-5-4-6-21(16-20)35-26-22(28(30,31)32)17-33-27(37-26)36-23-8-7-19(15-24(23)40-2)18-9-12-38(13-10-18)14-11-29/h3-8,15-18H,1,9-14H2,2H3,(H,34,39)(H2,33,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 510n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391732
PNG
(US10300058, Compound 2 | acrylamide )
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H29F3N6O3/c1-4-25(39)33-20-6-5-7-21(15-20)34-26-22(28(29,30)31)16-32-27(36-26)35-23-9-8-19(14-24(23)40-3)18-10-12-37(13-11-18)17(2)38/h4-9,14-16,18H,1,10-13H2,2-3H3,(H,33,39)(H2,32,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 552n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391734
PNG
(N-(3-((2-((2-acetyl-7-methoxy-1,2,3,4-tetrahydrois...)
Show SMILES COc1cc2CN(CCc2cc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C(C)=O
Show InChI InChI=1S/C26H25F3N6O3/c1-4-23(37)31-18-6-5-7-19(12-18)32-24-20(26(27,28)29)13-30-25(34-24)33-21-10-16-8-9-35(15(2)36)14-17(16)11-22(21)38-3/h4-7,10-13H,1,8-9,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 640n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391733
PNG
(N-(3-((2-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H27F3N6O3/c1-4-25(39)33-20-6-5-7-21(15-20)34-26-22(28(29,30)31)16-32-27(36-26)35-23-9-8-19(14-24(23)40-3)18-10-12-37(13-11-18)17(2)38/h4-10,14-16H,1,11-13H2,2-3H3,(H,33,39)(H2,32,34,35,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 699n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391736
PNG
(N-(6-((2-((4-(1-acetyl-1,2,3,6-tetrahydropyridin-4...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)n2)n1)C(F)(F)F)C1=CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H26F3N7O3/c1-4-24(39)34-22-6-5-7-23(33-22)35-25-19(27(28,29)30)15-31-26(36-25)32-20-9-8-18(14-21(20)40-3)17-10-12-37(13-11-17)16(2)38/h4-10,14-15H,1,11-13H2,2-3H3,(H3,31,32,33,34,35,36,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 995n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391746
PNG
(N-(3-((2-((2-methoxy-4-(1-(oxetan-3-yl)piperidin-4...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H31F3N6O3/c1-3-26(39)34-20-5-4-6-21(14-20)35-27-23(29(30,31)32)15-33-28(37-27)36-24-8-7-19(13-25(24)40-2)18-9-11-38(12-10-18)22-16-41-17-22/h3-8,13-15,18,22H,1,9-12,16-17H2,2H3,(H,34,39)(H2,33,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor (T790M)


(Homo sapiens (Human))
BDBM391747
PNG
(N-(3-((2-((2-methoxy-4-(3-(methylsulfonyl)propoxy)...)
Show SMILES COc1cc(OCCCS(C)(=O)=O)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O5S/c1-4-22(34)30-16-7-5-8-17(13-16)31-23-19(25(26,27)28)15-29-24(33-23)32-20-10-9-18(14-21(20)37-2)38-11-6-12-39(3,35)36/h4-5,7-10,13-15H,1,6,11-12H2,2-3H3,(H,30,34)(H2,29,31,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391739
PNG
(US10300058, Compound 23 | methyl)pyrimidin-4-yl)am...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CCF)C(=O)C1
Show InChI InChI=1S/C28H28F4N6O3/c1-3-24(39)34-19-5-4-6-20(15-19)35-26-21(28(30,31)32)16-33-27(37-26)36-22-8-7-17(13-23(22)41-2)18-9-11-38(12-10-29)25(40)14-18/h3-8,13,15-16,18H,1,9-12,14H2,2H3,(H,34,39)(H2,33,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391737
PNG
(N-(3-((2-((4-(8-acetyl-3,8-diazabicyclo[3.2.1]octa...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CC2CCC(C1)N2C(C)=O
Show InChI InChI=1S/C29H30F3N7O3/c1-4-26(41)34-18-6-5-7-19(12-18)35-27-23(29(30,31)32)14-33-28(37-27)36-24-11-10-20(13-25(24)42-3)38-15-21-8-9-22(16-38)39(21)17(2)40/h4-7,10-14,21-22H,1,8-9,15-16H2,2-3H3,(H,34,41)(H2,33,35,36,37)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.20E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391740
PNG
(N-(3-((2-((4-(1-(3-fluoropropionyl)piperidin-4-yl)...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C(=O)CCF
Show InChI InChI=1S/C29H30F4N6O3/c1-3-25(40)35-20-5-4-6-21(16-20)36-27-22(29(31,32)33)17-34-28(38-27)37-23-8-7-19(15-24(23)42-2)18-10-13-39(14-11-18)26(41)9-12-30/h3-8,15-18H,1,9-14H2,2H3,(H,35,40)(H2,34,36,37,38)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.60E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391745
PNG
(N-(3-((2-((2-acetyl-1,2,3,4-tetrahydroisoquinoline...)
Show SMILES CC(=O)N1CCc2c(C1)cccc2Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-3-22(36)30-17-7-5-8-18(12-17)31-23-20(25(26,27)28)13-29-24(33-23)32-21-9-4-6-16-14-34(15(2)35)11-10-19(16)21/h3-9,12-13H,1,10-11,14H2,2H3,(H,30,36)(H2,29,31,32,33)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.90E+3n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391744
PNG
(N-(3-((2-((2-methoxy-4-(1-methylpiperidin-4-yl)phe...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(C)CC1
Show InChI InChI=1S/C27H29F3N6O2/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)38-3)17-10-12-36(2)13-11-17/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391738
PNG
(N-(3-((2-((2-acetyl-8-methoxy-1,2,3,4-tetrahydrois...)
Show SMILES COc1c(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)ccc2CCN(Cc12)C(C)=O
Show InChI InChI=1S/C26H25F3N6O3/c1-4-22(37)31-17-6-5-7-18(12-17)32-24-20(26(27,28)29)13-30-25(34-24)33-21-9-8-16-10-11-35(15(2)36)14-19(16)23(21)38-3/h4-9,12-13H,1,10-11,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391741
PNG
(US10300058, Compound 26 | pyrimidin-4-yl)amino)phe...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CCF)CC1
Show InChI InChI=1S/C28H30F4N6O2/c1-3-25(39)34-20-5-4-6-21(16-20)35-26-22(28(30,31)32)17-33-27(37-26)36-23-8-7-19(15-24(23)40-2)18-9-12-38(13-10-18)14-11-29/h3-8,15-18H,1,9-14H2,2H3,(H,34,39)(H2,33,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+4n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391743
PNG
(N-(3-((2-((2-methoxy-4-(4-morpholinopiperidin-1-yl...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C30H34F3N7O3/c1-3-27(41)35-20-5-4-6-21(17-20)36-28-24(30(31,32)33)19-34-29(38-28)37-25-8-7-23(18-26(25)42-2)39-11-9-22(10-12-39)40-13-15-43-16-14-40/h3-8,17-19,22H,1,9-16H2,2H3,(H,35,41)(H2,34,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30E+4n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391746
PNG
(N-(3-((2-((2-methoxy-4-(1-(oxetan-3-yl)piperidin-4...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C29H31F3N6O3/c1-3-26(39)34-20-5-4-6-21(14-20)35-27-23(29(30,31)32)15-33-28(37-27)36-24-8-7-19(13-25(24)40-2)18-9-11-38(12-10-18)22-16-41-17-22/h3-8,13-15,18,22H,1,9-12,16-17H2,2H3,(H,34,39)(H2,33,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20E+4n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 1.53E+5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM391747
PNG
(N-(3-((2-((2-methoxy-4-(3-(methylsulfonyl)propoxy)...)
Show SMILES COc1cc(OCCCS(C)(=O)=O)ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O5S/c1-4-22(34)30-16-7-5-8-17(13-16)31-23-19(25(26,27)28)15-29-24(33-23)32-20-10-9-18(14-21(20)37-2)38-11-6-12-39(3,35)36/h4-5,7-10,13-15H,1,6,11-12H2,2-3H3,(H,30,34)(H2,29,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.59E+5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391739
PNG
(US10300058, Compound 23 | methyl)pyrimidin-4-yl)am...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CCF)C(=O)C1
Show InChI InChI=1S/C28H28F4N6O3/c1-3-24(39)34-19-5-4-6-20(15-19)35-26-21(28(30,31)32)16-33-27(37-26)36-22-8-7-17(13-23(22)41-2)18-9-11-38(12-10-29)25(40)14-18/h3-8,13,15-16,18H,1,9-12,14H2,2H3,(H,34,39)(H2,33,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.94E+5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391737
PNG
(N-(3-((2-((4-(8-acetyl-3,8-diazabicyclo[3.2.1]octa...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CC2CCC(C1)N2C(C)=O
Show InChI InChI=1S/C29H30F3N7O3/c1-4-26(41)34-18-6-5-7-19(12-18)35-27-23(29(30,31)32)14-33-28(37-27)36-24-11-10-20(13-25(24)42-3)38-15-21-8-9-22(16-38)39(21)17(2)40/h4-7,10-14,21-22H,1,8-9,15-16H2,2-3H3,(H,34,41)(H2,33,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.32E+5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391740
PNG
(N-(3-((2-((4-(1-(3-fluoropropionyl)piperidin-4-yl)...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)C(=O)CCF
Show InChI InChI=1S/C29H30F4N6O3/c1-3-25(40)35-20-5-4-6-21(16-20)36-27-22(29(31,32)33)17-34-28(38-27)37-23-8-7-19(15-24(23)42-2)18-10-13-39(14-11-18)26(41)9-12-30/h3-8,15-18H,1,9-14H2,2H3,(H,35,40)(H2,34,36,37,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.83E+5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391742
PNG
(N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.71E+5n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391745
PNG
(N-(3-((2-((2-acetyl-1,2,3,4-tetrahydroisoquinoline...)
Show SMILES CC(=O)N1CCc2c(C1)cccc2Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F
Show InChI InChI=1S/C25H23F3N6O2/c1-3-22(36)30-17-7-5-8-18(12-17)31-23-20(25(26,27)28)13-29-24(33-23)32-21-9-4-6-16-14-34(15(2)35)11-10-19(16)21/h3-9,12-13H,1,10-11,14H2,2H3,(H,30,36)(H2,29,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.28E+6n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

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


(Homo sapiens (Human))
BDBM391738
PNG
(N-(3-((2-((2-acetyl-8-methoxy-1,2,3,4-tetrahydrois...)
Show SMILES COc1c(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)ccc2CCN(Cc12)C(C)=O
Show InChI InChI=1S/C26H25F3N6O3/c1-4-22(37)31-17-6-5-7-18(12-17)32-24-20(26(27,28)29)13-30-25(34-24)33-21-9-8-16-10-11-35(15(2)36)14-19(16)23(21)38-3/h4-9,12-13H,1,10-11,14H2,2-3H3,(H,31,37)(H2,30,32,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.37E+6n/an/an/an/an/an/a



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....


US Patent US10300058 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%