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Patent code US8916574

Compile Data Set for Download or QSAR
Found 6 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))		BDBM140984
PNG
(US8916574, Compound 1)
Show SMILES NS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C28H25ClFN5O4S/c29-24-14-21(5-8-27(24)38-16-18-2-1-3-20(30)12-18)35-28-23-13-19(4-7-25(23)33-17-34-28)26-9-6-22(39-26)15-32-10-11-40(31,36)37/h1-9,12-14,17,32H,10-11,15-16H2,(H2,31,36,37)(H,33,34,35)
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US Patent
n/an/a 2.71n/an/an/an/an/a25



Qilu Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell...

US Patent US8916574 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BXK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM140988
PNG
(US8916574, Compound 5)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNCCS(=O)(=O)CC(F)(F)F)o3)cc2Cl)c1
Show InChI InChI=1S/C30H25ClF4N4O4S/c31-25-14-22(5-8-28(25)42-16-19-2-1-3-21(32)12-19)39-29-24-13-20(4-7-26(24)37-18-38-29)27-9-6-23(43-27)15-36-10-11-44(40,41)17-30(33,34)35/h1-9,12-14,18,36H,10-11,15-17H2,(H,37,38,39)
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UniProtKB/SwissProt

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antibodypedia
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UniChem

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US Patent
n/an/a 14.6n/an/an/an/an/a25



Qilu Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell...

US Patent US8916574 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BXK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM140987
PNG
(US8916574, Compound 4)
Show SMILES CS(=O)(=O)NCCNCc1ccc(o1)-c1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cs1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 15.5n/an/an/an/an/a25



Qilu Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell...

US Patent US8916574 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BXK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM140989
PNG
(US8916574, Compound 6)
Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(cc34)-c3ccc(CNS(=O)(=O)C(F)(F)F)o3)cc2Cl)c1
Show InChI InChI=1S/C27H19ClF4N4O4S/c28-22-12-19(5-8-25(22)39-14-16-2-1-3-18(29)10-16)36-26-21-11-17(4-7-23(21)33-15-34-26)24-9-6-20(40-24)13-35-41(37,38)27(30,31)32/h1-12,15,35H,13-14H2,(H,33,34,36)
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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 32.4n/an/an/an/an/a25



Qilu Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell...

US Patent US8916574 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BXK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM140985
PNG
(US8916574, Compound 2)
Show SMILES CS(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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Purchase

MCE
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 52.7n/an/an/an/an/a25



Qilu Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell...

US Patent US8916574 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BXK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))		BDBM140986
PNG
(US8916574, Compound 3)
Show SMILES CSCCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O2S/c1-38-12-11-32-16-23-7-10-27(37-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)36-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 56.2n/an/an/an/an/a25



Qilu Pharmaceutical Co., Ltd.

US Patent


Assay Description
In vitro kinase analysis was performed by using HTScan EGF Receptor Kinase Assay Kit (#7909) and HTScan HER2/ErbB2 Kinase Assay Kit (#7058) from Cell...

US Patent US8916574 (2014)


BindingDB Entry DOI: 10.7270/Q2SX6BXK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%