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USPatent US9085540

Compile data set for download or QSAR
Found 31 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))
BDBM170524
PNG
(US9085540, 64)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)[C@H](C)C2)nc1Oc1cccc(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-5-23-28(38-22-9-7-8-20(16-22)30-24(36)6-2)33-27(25(32-23)26(29)37)31-19-10-12-21(13-11-19)35-15-14-34(4)18(3)17-35/h6-13,16,18H,2,5,14-15,17H2,1,3-4H3,(H2,29,37)(H,30,36)(H,31,33)/t18-/m1/s1
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US Patent
n/an/a 0.560n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170503
PNG
(US9085540, 43)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c(CC)nc2C(N)=O)cc1
Show InChI InChI=1S/C28H33N7O3/c1-4-23-28(38-22-9-7-8-20(18-22)30-24(36)5-2)33-27(25(32-23)26(29)37)31-19-10-12-21(13-11-19)35-16-14-34(6-3)15-17-35/h5,7-13,18H,2,4,6,14-17H2,1,3H3,(H2,29,37)(H,30,36)(H,31,33)
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US Patent
n/an/a 0.660n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170486
PNG
(US9085540, 26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)cnc2C(N)=O)cc1
Show InChI InChI=1S/C25H27N7O3/c1-3-21(33)28-18-5-4-6-20(15-18)35-22-16-27-23(24(26)34)25(30-22)29-17-7-9-19(10-8-17)32-13-11-31(2)12-14-32/h3-10,15-16H,1,11-14H2,2H3,(H2,26,34)(H,28,33)(H,29,30)
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n/an/a 0.920n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170486
PNG
(US9085540, 26)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)cnc2C(N)=O)cc1
Show InChI InChI=1S/C25H27N7O3/c1-3-21(33)28-18-5-4-6-20(15-18)35-22-16-27-23(24(26)34)25(30-22)29-17-7-9-19(10-8-17)32-13-11-31(2)12-14-32/h3-10,15-16H,1,11-14H2,2H3,(H2,26,34)(H,28,33)(H,29,30)
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n/an/a 1.10n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170484
PNG
(US9085540, 24)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C32H46N8O2/c1-5-26-29(23-9-13-40(14-10-23)28(41)6-2)36-32(30(35-26)31(33)42)34-24-7-8-27(22(3)21-24)39-15-11-25(12-16-39)38-19-17-37(4)18-20-38/h6-8,21,23,25H,2,5,9-20H2,1,3-4H3,(H2,33,42)(H,34,36)
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n/an/a 1.10n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170475
PNG
(US9085540, 15)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C28H33N7O3/c1-5-21-28(38-23-9-7-8-22(18(23)3)31-24(36)6-2)33-27(25(32-21)26(29)37)30-19-10-12-20(13-11-19)35-16-14-34(4)15-17-35/h6-13H,2,5,14-17H2,1,3-4H3,(H2,29,37)(H,30,33)(H,31,36)
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n/an/a 1.10n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170502
PNG
(US9085540, 42)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(OC)c(c2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H33N7O4/c1-5-21-28(39-20-9-7-8-18(16-20)30-24(36)6-2)33-27(25(32-21)26(29)37)31-19-10-11-23(38-4)22(17-19)35-14-12-34(3)13-15-35/h6-11,16-17H,2,5,12-15H2,1,3-4H3,(H2,29,37)(H,30,36)(H,31,33)
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170523
PNG
(US9085540, 63)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)[C@@H](C)C2)nc1Oc1cccc(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-5-23-28(38-22-9-7-8-20(16-22)30-24(36)6-2)33-27(25(32-23)26(29)37)31-19-10-12-21(13-11-19)35-15-14-34(4)18(3)17-35/h6-13,16,18H,2,5,14-15,17H2,1,3-4H3,(H2,29,37)(H,30,36)(H,31,33)/t18-/m0/s1
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170475
PNG
(US9085540, 15)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1C
Show InChI InChI=1S/C28H33N7O3/c1-5-21-28(38-23-9-7-8-22(18(23)3)31-24(36)6-2)33-27(25(32-21)26(29)37)30-19-10-12-20(13-11-19)35-16-14-34(4)15-17-35/h6-13H,2,5,14-17H2,1,3-4H3,(H2,29,37)(H,30,33)(H,31,36)
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170533
PNG
(US9085540, 73)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCN(C)CC2)c(nc1CC)C(N)=O |r|
Show InChI InChI=1S/C25H35N7O3/c1-4-20-25(35-19-10-11-32(16-19)21(33)5-2)29-24(22(28-20)23(26)34)27-17-6-8-18(9-7-17)31-14-12-30(3)13-15-31/h6-9,19H,4-5,10-16H2,1-3H3,(H2,26,34)(H,27,29)/t19-/m1/s1
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US Patent
n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170540
PNG
(US9085540, 80)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1O[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C32H46N8O3/c1-5-26-32(43-25-8-7-13-40(21-25)28(41)6-2)36-31(29(35-26)30(33)42)34-23-9-10-27(22(3)20-23)39-14-11-24(12-15-39)38-18-16-37(4)17-19-38/h6,9-10,20,24-25H,2,5,7-8,11-19,21H2,1,3-4H3,(H2,33,42)(H,34,36)/t25-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170539
PNG
(US9085540, 79)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1O[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C31H44N8O3/c1-4-26-31(42-25-7-6-14-39(21-25)27(40)5-2)35-30(28(34-26)29(32)41)33-22-8-10-23(11-9-22)37-15-12-24(13-16-37)38-19-17-36(3)18-20-38/h5,8-11,24-25H,2,4,6-7,12-21H2,1,3H3,(H2,32,41)(H,33,35)/t25-/m1/s1
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170529
PNG
(US9085540, 69)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C31H44N8O2/c1-4-26-28(22-10-14-39(15-11-22)27(40)5-2)35-31(29(34-26)30(32)41)33-23-6-8-24(9-7-23)37-16-12-25(13-17-37)38-20-18-36(3)19-21-38/h5-9,22,25H,2,4,10-21H2,1,3H3,(H2,32,41)(H,33,35)
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170516
PNG
(US9085540, 56)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2cnn(c2)C2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H32N8O3/c1-5-21(35)29-17-7-6-8-20(13-17)37-26-22(16(2)3)31-23(24(27)36)25(32-26)30-18-14-28-34(15-18)19-9-11-33(4)12-10-19/h5-8,13-16,19H,1,9-12H2,2-4H3,(H2,27,36)(H,29,35)(H,30,32)
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n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170461
PNG
(US9085540, 1)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C27H31N7O3/c1-4-22-27(37-21-8-6-7-19(17-21)29-23(35)5-2)32-26(24(31-22)25(28)36)30-18-9-11-20(12-10-18)34-15-13-33(3)14-16-34/h5-12,17H,2,4,13-16H2,1,3H3,(H2,28,36)(H,29,35)(H,30,32)
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US Patent
n/an/a 1.30n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170503
PNG
(US9085540, 43)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c(CC)nc2C(N)=O)cc1
Show InChI InChI=1S/C28H33N7O3/c1-4-23-28(38-22-9-7-8-20(18-22)30-24(36)5-2)33-27(25(32-23)26(29)37)31-19-10-12-21(13-11-19)35-16-14-34(6-3)15-17-35/h5,7-13,18H,2,4,6,14-17H2,1,3H3,(H2,29,37)(H,30,36)(H,31,33)
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170463
PNG
(US9085540, 3)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)\C=C\CN(C)C)c1
Show InChI InChI=1S/C30H38N8O3/c1-5-25-30(41-24-9-6-8-22(20-24)32-26(39)10-7-15-36(2)3)35-29(27(34-25)28(31)40)33-21-11-13-23(14-12-21)38-18-16-37(4)17-19-38/h6-14,20H,5,15-19H2,1-4H3,(H2,31,40)(H,32,39)(H,33,35)/b10-7+
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170502
PNG
(US9085540, 42)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(OC)c(c2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H33N7O4/c1-5-21-28(39-20-9-7-8-18(16-20)30-24(36)6-2)33-27(25(32-21)26(29)37)31-19-10-11-23(38-4)22(17-19)35-14-12-34(3)13-15-35/h6-11,16-17H,2,5,12-15H2,1,3-4H3,(H2,29,37)(H,30,36)(H,31,33)
PDB
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170542
PNG
(US9085540, 82)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cc(NC(=O)C=C)ccc1F
Show InChI InChI=1S/C27H30FN7O3/c1-4-21-27(38-22-16-18(8-11-20(22)28)30-23(36)5-2)33-26(24(32-21)25(29)37)31-17-6-9-19(10-7-17)35-14-12-34(3)13-15-35/h5-11,16H,2,4,12-15H2,1,3H3,(H2,29,37)(H,30,36)(H,31,33)
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170482
PNG
(US9085540, 22)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H33N7O3/c1-5-23(36)30-20-7-6-8-22(17-20)38-28-24(18(2)3)32-25(26(29)37)27(33-28)31-19-9-11-21(12-10-19)35-15-13-34(4)14-16-35/h5-12,17-18H,1,13-16H2,2-4H3,(H2,29,37)(H,30,36)(H,31,33)
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n/an/a 1.5n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170524
PNG
(US9085540, 64)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)[C@H](C)C2)nc1Oc1cccc(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-5-23-28(38-22-9-7-8-20(16-22)30-24(36)6-2)33-27(25(32-23)26(29)37)31-19-10-12-21(13-11-19)35-15-14-34(4)18(3)17-35/h6-13,16,18H,2,5,14-15,17H2,1,3-4H3,(H2,29,37)(H,30,36)(H,31,33)/t18-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170514
PNG
(US9085540, 54)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1O[C@@H]1CCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170523
PNG
(US9085540, 63)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)[C@@H](C)C2)nc1Oc1cccc(NC(=O)C=C)c1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-5-23-28(38-22-9-7-8-20(16-22)30-24(36)6-2)33-27(25(32-23)26(29)37)31-19-10-12-21(13-11-19)35-15-14-34(4)18(3)17-35/h6-13,16,18H,2,5,14-15,17H2,1,3-4H3,(H2,29,37)(H,30,36)(H,31,33)/t18-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170482
PNG
(US9085540, 22)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C28H33N7O3/c1-5-23(36)30-20-7-6-8-22(17-20)38-28-24(18(2)3)32-25(26(29)37)27(33-28)31-19-9-11-21(12-10-19)35-15-13-34(4)14-16-35/h5-12,17-18H,1,13-16H2,2-4H3,(H2,29,37)(H,30,36)(H,31,33)
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n/an/a 1.90n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170516
PNG
(US9085540, 56)
Show SMILES CC(C)c1nc(C(N)=O)c(Nc2cnn(c2)C2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C26H32N8O3/c1-5-21(35)29-17-7-6-8-20(13-17)37-26-22(16(2)3)31-23(24(27)36)25(32-26)30-18-14-28-34(15-18)19-9-11-33(4)12-10-19/h5-8,13-16,19H,1,9-12H2,2-4H3,(H2,27,36)(H,29,35)(H,30,32)
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n/an/a 2n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170484
PNG
(US9085540, 24)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N3CCN(C)CC3)c(C)c2)nc1C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C32H46N8O2/c1-5-26-29(23-9-13-40(14-10-23)28(41)6-2)36-32(30(35-26)31(33)42)34-24-7-8-27(22(3)21-24)39-15-11-25(12-16-39)38-19-17-37(4)18-20-38/h6-8,21,23,25H,2,5,9-20H2,1,3-4H3,(H2,33,42)(H,34,36)
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n/an/a 2.10n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170461
PNG
(US9085540, 1)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C27H31N7O3/c1-4-22-27(37-21-8-6-7-19(17-21)29-23(35)5-2)32-26(24(31-22)25(28)36)30-18-9-11-20(12-10-18)34-15-13-33(3)14-16-34/h5-12,17H,2,4,13-16H2,1,3H3,(H2,28,36)(H,29,35)(H,30,32)
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n/an/a 2.20n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170529
PNG
(US9085540, 69)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1C1CCN(CC1)C(=O)C=C
Show InChI InChI=1S/C31H44N8O2/c1-4-26-28(22-10-14-39(15-11-22)27(40)5-2)35-31(29(34-26)30(32)41)33-23-6-8-24(9-7-23)37-16-12-25(13-17-37)38-20-18-36(3)19-21-38/h5-9,22,25H,2,4,10-21H2,1,3H3,(H2,32,41)(H,33,35)
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n/an/a 4n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170514
PNG
(US9085540, 54)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCC(CC2)N2CCN(C)CC2)nc1O[C@@H]1CCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170533
PNG
(US9085540, 73)
Show SMILES CCC(=O)N1CC[C@H](C1)Oc1nc(Nc2ccc(cc2)N2CCN(C)CC2)c(nc1CC)C(N)=O |r|
Show InChI InChI=1S/C25H35N7O3/c1-4-20-25(35-19-10-11-32(16-19)21(33)5-2)29-24(22(28-20)23(26)34)27-17-6-8-18(9-7-17)31-14-12-30(3)13-15-31/h6-9,19H,4-5,10-16H2,1-3H3,(H2,26,34)(H,27,29)/t19-/m1/s1
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n/an/a 5.60n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM170463
PNG
(US9085540, 3)
Show SMILES CCc1nc(C(N)=O)c(Nc2ccc(cc2)N2CCN(C)CC2)nc1Oc1cccc(NC(=O)\C=C\CN(C)C)c1
Show InChI InChI=1S/C30H38N8O3/c1-5-25-30(41-24-9-6-8-22(20-24)32-26(39)10-7-15-36(2)3)35-29(27(34-25)28(31)40)33-21-11-13-23(14-12-21)38-18-16-37(4)17-19-38/h6-14,20H,5,15-19H2,1-4H3,(H2,31,40)(H,32,39)(H,33,35)/b10-7+
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n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
The phosphorylation activity on the peptide substrate of EGFR was investigated using LabChip (trademark) Systems (Caliper Life Sciences, Inc.). For t...


US Patent US9085540 (2015)


BindingDB Entry DOI: 10.7270/Q2154FSV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%