BindingDB logo
myBDB logout

Patent code US8901140

Compile Data Set for Download or QSAR
Found 7 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
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139993
PNG
(US8901140, 8 | US9358227, 8)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r|
Show InChI InChI=1S/C25H27ClFN5O3/c1-32-9-3-4-17(32)6-8-24(33)31-22-13-18-21(14-23(22)35-11-10-34-2)28-15-29-25(18)30-16-5-7-20(27)19(26)12-16/h5-8,12-15,17H,3-4,9-11H2,1-2H3,(H,31,33)(H,28,29,30)/b8-6+/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139994
PNG
(US8901140, 9 | US9358227, 9)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r|
Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139992
PNG
(US8901140, 7 | US9358227, 7)
Show SMILES CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C24H25ClFN5O2/c1-3-33-22-13-20-17(12-21(22)30-23(32)9-7-16-5-4-10-31(16)2)24(28-14-27-20)29-15-6-8-19(26)18(25)11-15/h6-9,11-14,16H,3-5,10H2,1-2H3,(H,30,32)(H,27,28,29)/b9-7+/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139989
PNG
(US8901140, 2 | US9358227, 2)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C31H29ClN6O3/c1-2-40-29-16-26-24(15-27(29)38-30(39)11-9-21-7-5-13-34-21)31(20(17-33)18-36-26)37-22-8-10-28(25(32)14-22)41-19-23-6-3-4-12-35-23/h3-4,6,8-12,14-16,18,21,34H,2,5,7,13,19H2,1H3,(H,36,37)(H,38,39)/b11-9+/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139991
PNG
(US8901140, 5 | US9358227, 5)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@H]1CCCN1C |r|
Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 13n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139988
PNG
(US8901140, 1 | US9358227, 1)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 48n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM139990
PNG
(US8901140, 3 | US9358227, 3)
Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\[C@@H]1C[C@@H](O)CN1C |r|
Show InChI InChI=1S/C32H31ClN6O4/c1-3-42-30-15-27-25(14-28(30)38-31(41)10-8-23-13-24(40)18-39(23)2)32(20(16-34)17-36-27)37-21-7-9-29(26(33)12-21)43-19-22-6-4-5-11-35-22/h4-12,14-15,17,23-24,40H,3,13,18-19H2,1-2H3,(H,36,37)(H,38,41)/b10-8+/t23-,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 59n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.; Shanghai Hengrui Pharmaceutical Co., Ltd.

US Patent


Assay Description
The following assay may be used to determine the activity of the compounds of the invention for inhibiting EGFR kinase activity. The half maximal inh...

US Patent US8901140 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F76
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%