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Patent code US9694011

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 [L858R]


(Homo sapiens (Human))		BDBM76963
PNG
(US9694011, Example 1 (Compound 17))
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H23FN6O2/c1-2-21(33)31-13-3-4-18(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-5-9-19(10-6-16)34-20-11-7-17(26)8-12-20/h2,5-12,15,18H,1,3-4,13-14H2,(H2,27,28,29)/t18-/m1/s1
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/an/a 54n/an/an/an/a32



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...

US Patent US9694011 (2017)


BindingDB Entry DOI: 10.7270/Q20K26Q4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))		BDBM76973
PNG
(US9694011, Example 2 (Compound 18))
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H23ClN6O2/c1-2-21(33)31-12-6-7-17(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-10-11-20(19(26)13-16)34-18-8-4-3-5-9-18/h2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,27,28,29)/t17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/an/a 6.30n/an/an/an/a32



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...

US Patent US9694011 (2017)


BindingDB Entry DOI: 10.7270/Q20K26Q4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM76973
PNG
(US9694011, Example 2 (Compound 18))
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H23ClN6O2/c1-2-21(33)31-12-6-7-17(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-10-11-20(19(26)13-16)34-18-8-4-3-5-9-18/h2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,27,28,29)/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/an/a 9.30n/an/an/an/a32



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...

US Patent US9694011 (2017)


BindingDB Entry DOI: 10.7270/Q20K26Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM76973
PNG
(US9694011, Example 2 (Compound 18))
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H23ClN6O2/c1-2-21(33)31-12-6-7-17(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-10-11-20(19(26)13-16)34-18-8-4-3-5-9-18/h2-5,8-11,13,15,17H,1,6-7,12,14H2,(H2,27,28,29)/t17-/m1/s1
PDB
MMDB

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PC sid
UniChem

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US Patent
n/an/an/a<10n/an/an/an/a32



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...

US Patent US9694011 (2017)


BindingDB Entry DOI: 10.7270/Q20K26Q4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [T790M,L858R]


(Homo sapiens (Human))		BDBM76963
PNG
(US9694011, Example 1 (Compound 17))
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H23FN6O2/c1-2-21(33)31-13-3-4-18(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-5-9-19(10-6-16)34-20-11-7-17(26)8-12-20/h2,5-12,15,18H,1,3-4,13-14H2,(H2,27,28,29)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/an/a 270n/an/an/an/a32



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...

US Patent US9694011 (2017)


BindingDB Entry DOI: 10.7270/Q20K26Q4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))		BDBM76963
PNG
(US9694011, Example 1 (Compound 17))
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C25H23FN6O2/c1-2-21(33)31-13-3-4-18(14-31)32-25-22(24(27)28-15-29-25)23(30-32)16-5-9-19(10-6-16)34-20-11-7-17(26)8-12-20/h2,5-12,15,18H,1,3-4,13-14H2,(H2,27,28,29)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/an/a<10n/an/an/an/a32



Jiangsu Medolution Ltd

US Patent


Assay Description
Kinase-tagged T7 phage strains were prepared in an E. coli host derived from the BL21 strain. E. coli were grown to log-phase and infected with T7 ph...

US Patent US9694011 (2017)


BindingDB Entry DOI: 10.7270/Q20K26Q4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%