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USPatent US9890185

Compile Data Set for Download or QSAR

Found 468 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381082
PNG
(US9890185, Example 38(e))
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccn4)c3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C35H38N5O4P/c1-35(2,3)23-19-29(33(43-4)31(20-23)45(5,6)42)40-34(41)39-28-14-15-30(27-13-8-7-12-26(27)28)44-25-16-18-37-32(21-25)38-22-24-11-9-10-17-36-24/h7-21H,22H2,1-6H3,(H,37,38)(H2,39,40,41)
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n/an/a 5n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM381166
PNG
(US9890185, Example 79(g))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H36N4O7S/c1-36(2,3)21-17-28(33(46-5)31(18-21)48(6)44)40-35(43)39-27-13-14-29(25-10-8-7-9-24(25)27)47-23-15-16-37-32(20-23)38-22-11-12-26(34(41)42)30(19-22)45-4/h7-20H,1-6H3,(H,37,38)(H,41,42)(H2,39,40,43)
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n/an/a 5n/an/an/an/an/an/a



Cephalon



Assay Description
Method 2: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to t...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381167
PNG
(US9890185, Example 79(m))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)S(=O)(=O)N(C)CCN1CCN(C)CC1
Show InChI InChI=1S/C44H56N7O7PS/c1-44(2,3)30-24-38(42(57-7)40(25-30)59(8,9)53)48-43(52)47-37-14-15-39(36-13-11-10-12-35(36)37)58-32-16-17-45-41(29-32)46-31-26-33(56-6)28-34(27-31)60(54,55)50(5)20-23-51-21-18-49(4)19-22-51/h10-17,24-29H,18-23H2,1-9H3,(H,45,46)(H2,47,48,52)
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n/an/a 6n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381071
PNG
(1-(5-(tert-Butyl)-3-(dimethylphosphoryl)-2-methoxy...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccn4)n3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C34H37N6O4P/c1-34(2,3)22-19-27(31(43-4)29(20-22)45(5,6)42)39-33(41)38-26-14-15-28(25-13-8-7-12-24(25)26)44-30-16-18-36-32(40-30)37-21-23-11-9-10-17-35-23/h7-20H,21H2,1-6H3,(H,36,37,40)(H2,38,39,41)
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n/an/a 6n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381094
PNG
(US9890185, Example 38(q))
Show SMILES COc1c(CNC(C)=O)cc(cc1NC(=O)Nc1ccc(Oc2ccnc(NCc3ccccn3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H38N6O4/c1-23(43)39-21-24-18-25(36(2,3)4)19-31(34(24)45-5)42-35(44)41-30-13-14-32(29-12-7-6-11-28(29)30)46-27-15-17-38-33(20-27)40-22-26-10-8-9-16-37-26/h6-20H,21-22H2,1-5H3,(H,38,40)(H,39,43)(H2,41,42,44)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM381167
PNG
(US9890185, Example 79(m))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)S(=O)(=O)N(C)CCN1CCN(C)CC1
Show InChI InChI=1S/C44H56N7O7PS/c1-44(2,3)30-24-38(42(57-7)40(25-30)59(8,9)53)48-43(52)47-37-14-15-39(36-13-11-10-12-35(36)37)58-32-16-17-45-41(29-32)46-31-26-33(56-6)28-34(27-31)60(54,55)50(5)20-23-51-21-18-49(4)19-22-51/h10-17,24-29H,18-23H2,1-9H3,(H,45,46)(H2,47,48,52)
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n/an/a 7n/an/an/an/an/an/a



Cephalon



Assay Description
Method 2: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to t...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381123
PNG
(1-(5-(tert-Butyl)-2-methoxy-3-(methylsulfinyl)phen...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccn4)c3)c3ccccc23)cc(cc1S(C)=O)C(C)(C)C
Show InChI InChI=1S/C34H35N5O4S/c1-34(2,3)22-18-28(32(42-4)30(19-22)44(5)41)39-33(40)38-27-13-14-29(26-12-7-6-11-25(26)27)43-24-15-17-36-31(20-24)37-21-23-10-8-9-16-35-23/h6-20H,21H2,1-5H3,(H,36,37)(H2,38,39,40)
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n/an/a 8n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381092
PNG
(US9890185, Example 38(o))
Show SMILES COc1c(CC(N)=O)cc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccn(C)n3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H35N7O4/c1-33(2,3)21-16-20(17-28(34)41)31(43-5)26(18-21)37-32(42)36-25-10-11-27(24-9-7-6-8-23(24)25)44-22-12-14-35-30(19-22)38-29-13-15-40(4)39-29/h6-16,18-19H,17H2,1-5H3,(H2,34,41)(H,35,38,39)(H2,36,37,42)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381084
PNG
(US9890185, Example 38(g))
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(NCc4ccccc4)n3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C35H38N5O4P/c1-35(2,3)24-20-28(32(43-4)30(21-24)45(5,6)42)39-34(41)38-27-16-17-29(26-15-11-10-14-25(26)27)44-31-18-19-36-33(40-31)37-22-23-12-8-7-9-13-23/h7-21H,22H2,1-6H3,(H,36,37,40)(H2,38,39,41)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM380997
PNG
(US9890185, Example 1)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H52N5O9P/c1-42(2,3)28-23-35(39(52-6)37(24-28)57(7,8)49)46-41(48)45-34-13-14-36(33-12-10-9-11-32(33)34)56-38-15-16-43-40(47-38)44-29-25-30(51-5)27-31(26-29)55-22-21-54-20-19-53-18-17-50-4/h9-16,23-27H,17-22H2,1-8H3,(H,43,44,47)(H2,45,46,48)
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Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM380998
PNG
(1-(5-(tert-Butyl)-3-(dimethylphosphoryl)-2-methoxy...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C43H53N4O9P/c1-43(2,3)29-23-37(41(52-6)39(24-29)57(7,8)49)47-42(48)46-36-13-14-38(35-12-10-9-11-34(35)36)56-31-15-16-44-40(28-31)45-30-25-32(51-5)27-33(26-30)55-22-21-54-20-19-53-18-17-50-4/h9-16,23-28H,17-22H2,1-8H3,(H,44,45)(H2,46,47,48)
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Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381150
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O7S2/c1-42(2,3)28-23-35(39(54-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)53-4)40(49)44-15-16-48-17-19-57(52)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
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Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381134
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H52N6O9/c1-44(2,3)30-21-28(24-39(45)51)41(56-6)37(25-30)50-43(53)49-36-11-12-38(35-10-8-7-9-34(35)36)59-32-13-14-46-40(27-32)48-31-22-29(23-33(26-31)55-5)42(52)47-15-16-57-19-20-58-18-17-54-4/h7-14,21-23,25-27H,15-20,24H2,1-6H3,(H2,45,51)(H,46,48)(H,47,52)(H2,49,50,53)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381126
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H49N7O7/c1-43(2,3)29-20-27(23-38(44)51)40(55-5)36(24-29)49-42(53)48-35-10-11-37(34-9-7-6-8-33(34)35)57-31-12-13-45-39(26-31)47-30-21-28(22-32(25-30)54-4)41(52)46-14-15-50-16-18-56-19-17-50/h6-13,20-22,24-26H,14-19,23H2,1-5H3,(H2,44,51)(H,45,47)(H,46,52)(H2,48,49,53)
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Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381080
PNG
(US9890185, Example 38(c))
Show SMILES COc1cc(CO)cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)c1
Show InChI InChI=1S/C37H41N4O6P/c1-37(2,3)24-18-31(35(46-5)33(19-24)48(6,7)44)41-36(43)40-30-12-13-32(29-11-9-8-10-28(29)30)47-26-14-15-38-34(21-26)39-25-16-23(22-42)17-27(20-25)45-4/h8-21,42H,22H2,1-7H3,(H,38,39)(H2,40,41,43)
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Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381149
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H51N7O7S/c1-44(2,3)30-21-28(24-39(45)52)41(57-5)37(25-30)50-43(54)49-36-11-12-38(35-10-7-6-9-34(35)36)58-32-13-15-46-40(27-32)48-31-22-29(23-33(26-31)56-4)42(53)47-14-8-16-51-17-19-59(55)20-18-51/h6-7,9-13,15,21-23,25-27H,8,14,16-20,24H2,1-5H3,(H2,45,52)(H,46,48)(H,47,53)(H2,49,50,54)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381081
PNG
(US9890185, Example 38(d))
Show SMILES COc1c(CC(N)=O)cc(cc1NC(=O)Nc1ccc(Oc2ccnc(NCc3ccccn3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H36N6O4/c1-35(2,3)23-17-22(18-31(36)42)33(44-4)29(19-23)41-34(43)40-28-12-13-30(27-11-6-5-10-26(27)28)45-25-14-16-38-32(20-25)39-21-24-9-7-8-15-37-24/h5-17,19-20H,18,21H2,1-4H3,(H2,36,42)(H,38,39)(H2,40,41,43)
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n/an/a 13n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381098
PNG
(US9890185, Example 38(u))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H50N6O7S/c1-43(2,3)30-21-29(27-57(6)52)40(54-5)37(24-30)48-42(51)47-36-11-12-38(35-10-8-7-9-34(35)36)56-32-13-14-44-39(26-32)46-31-22-28(23-33(25-31)53-4)41(50)45-15-16-49-17-19-55-20-18-49/h7-14,21-26H,15-20,27H2,1-6H3,(H,44,46)(H,45,50)(H2,47,48,51)
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n/an/a 13n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381012
PNG
(US9890185, Example 15(b))
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C34H36N5O4P/c1-34(2,3)22-20-27(31(42-4)29(21-22)44(5,6)41)38-33(40)37-26-16-17-28(25-15-11-10-14-24(25)26)43-30-18-19-35-32(39-30)36-23-12-8-7-9-13-23/h7-21H,1-6H3,(H,35,36,39)(H2,37,38,40)
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n/an/a 14n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381004
PNG
(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methoxy-5...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(=O)NCCN5CCOCC5)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C47H59N7O10/c1-47(2,3)32-27-38(44(55)48-15-16-54-17-19-60-20-18-54)43(59-6)40(28-32)52-46(56)51-39-11-12-41(37-10-8-7-9-36(37)39)64-42-13-14-49-45(53-42)50-33-29-34(58-5)31-35(30-33)63-26-25-62-24-23-61-22-21-57-4/h7-14,27-31H,15-26H2,1-6H3,(H,48,55)(H,49,50,53)(H2,51,52,56)
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n/an/a 14n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381152
PNG
(3-((4-((4-(3-(3-(Acetamidomethyl)-5-(tert-butyl)-2...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H51N7O7S/c1-28(52)47-27-30-21-31(44(2,3)4)24-38(41(30)57-6)50-43(54)49-37-11-12-39(36-10-8-7-9-35(36)37)58-33-13-14-45-40(26-33)48-32-22-29(23-34(25-32)56-5)42(53)46-15-16-51-17-19-59(55)20-18-51/h7-14,21-26H,15-20,27H2,1-6H3,(H,45,48)(H,46,53)(H,47,52)(H2,49,50,54)
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n/an/a 14n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381057
PNG
(1-(5-(tert-Butyl)-3-(dimethylphosphoryl)-2-methoxy...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C36H40N5O6P/c1-36(2,3)22-17-29(33(46-6)31(18-22)48(7,8)43)40-35(42)39-28-13-14-30(27-12-10-9-11-26(27)28)47-32-15-16-37-34(41-32)38-23-19-24(44-4)21-25(20-23)45-5/h9-21H,1-8H3,(H,37,38,41)(H2,39,40,42)
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n/an/a 15n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381098
PNG
(US9890185, Example 38(u))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H50N6O7S/c1-43(2,3)30-21-29(27-57(6)52)40(54-5)37(24-30)48-42(51)47-36-11-12-38(35-10-8-7-9-34(35)36)56-32-13-14-44-39(26-32)46-31-22-28(23-33(25-31)53-4)41(50)45-15-16-49-17-19-55-20-18-49/h7-14,21-26H,15-20,27H2,1-6H3,(H,44,46)(H,45,50)(H2,47,48,51)
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n/an/a 15n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381146
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H49N7O7S/c1-43(2,3)29-20-27(23-38(44)51)40(56-5)36(24-29)49-42(53)48-35-10-11-37(34-9-7-6-8-33(34)35)57-31-12-13-45-39(26-31)47-30-21-28(22-32(25-30)55-4)41(52)46-14-15-50-16-18-58(54)19-17-50/h6-13,20-22,24-26H,14-19,23H2,1-5H3,(H2,44,51)(H,45,47)(H,46,52)(H2,48,49,53)
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n/an/a 15n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381102
PNG
(US9890185, Example 38(y))
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C45H54N6O9/c1-29(52)48-28-31-22-32(45(2,3)4)25-39(42(31)57-7)51-44(54)50-38-12-13-40(37-11-9-8-10-36(37)38)60-34-14-15-46-41(27-34)49-33-23-30(24-35(26-33)56-6)43(53)47-16-17-58-20-21-59-19-18-55-5/h8-15,22-27H,16-21,28H2,1-7H3,(H,46,49)(H,47,53)(H,48,52)(H2,50,51,54)
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n/an/a 15n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381013
PNG
(US9890185, Example 15(c))
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H50N6O9/c1-42(2,3)28-21-27(22-37(43)49)39(53-6)35(23-28)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)57-38-13-14-44-40(48-38)45-29-24-30(52-5)26-31(25-29)56-20-19-55-18-17-54-16-15-51-4/h7-14,21,23-26H,15-20,22H2,1-6H3,(H2,43,49)(H,44,45,48)(H2,46,47,50)
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n/an/a 16n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381002
PNG
(1-(5-(tert-Butyl)-3-((dimethylphosphoryl)methoxy)-...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(OCP(C)(C)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C43H54N5O10P/c1-43(2,3)29-23-36(40(53-6)38(24-29)57-28-59(7,8)50)47-42(49)46-35-13-14-37(34-12-10-9-11-33(34)35)58-39-15-16-44-41(48-39)45-30-25-31(52-5)27-32(26-30)56-22-21-55-20-19-54-18-17-51-4/h9-16,23-27H,17-22,28H2,1-8H3,(H,44,45,48)(H2,46,47,49)
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n/an/a 16n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM381020
PNG
(US9890185, Example 15(j))
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C36H38N7O4P/c1-21-16-24(17-22-20-38-43-32(21)22)39-34-37-15-14-31(42-34)47-29-13-12-27(25-10-8-9-11-26(25)29)40-35(44)41-28-18-23(36(2,3)4)19-30(33(28)46-5)48(6,7)45/h8-20H,1-7H3,(H,38,43)(H,37,39,42)(H2,40,41,44)
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n/an/a 16n/an/an/an/an/an/a



Cephalon



Assay Description
Method 2: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to t...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381006
PNG
(1-(3-(tert-Butyl)-5-(dimethylphosphoryl)phenyl)-3-...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C42H51N4O8P/c1-42(2,3)29-22-30(26-35(23-29)55(6,7)48)45-41(47)46-38-12-13-39(37-11-9-8-10-36(37)38)54-32-14-15-43-40(28-32)44-31-24-33(50-5)27-34(25-31)53-21-20-52-19-18-51-17-16-49-4/h8-15,22-28H,16-21H2,1-7H3,(H,43,44)(H2,45,46,47)
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n/an/a 16n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381150
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O7S2/c1-42(2,3)28-23-35(39(54-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)53-4)40(49)44-15-16-48-17-19-57(52)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381146
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H49N7O7S/c1-43(2,3)29-20-27(23-38(44)51)40(56-5)36(24-29)49-42(53)48-35-10-11-37(34-9-7-6-8-33(34)35)57-31-12-13-45-39(26-31)47-30-21-28(22-32(25-30)55-4)41(52)46-14-15-50-16-18-58(54)19-17-50/h6-13,20-22,24-26H,14-19,23H2,1-5H3,(H2,44,51)(H,45,47)(H,46,52)(H2,48,49,53)
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n/an/a 17n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381166
PNG
(US9890185, Example 79(g))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H36N4O7S/c1-36(2,3)21-17-28(33(46-5)31(18-21)48(6)44)40-35(43)39-27-13-14-29(25-10-8-7-9-24(25)27)47-23-15-16-37-32(20-23)38-22-11-12-26(34(41)42)30(19-22)45-4/h7-20H,1-6H3,(H,37,38)(H,41,42)(H2,39,40,43)
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n/an/a 17n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381158
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-3-((2-(dimethylamino)...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(=O)CN(C)C)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C47H59N7O9/c1-47(2,3)33-23-32(29-50-43(55)30-54(4)5)44(60-8)40(26-33)53-46(57)52-39-13-14-41(38-12-10-9-11-37(38)39)63-35-15-16-48-42(28-35)51-34-24-31(25-36(27-34)59-7)45(56)49-17-18-61-21-22-62-20-19-58-6/h9-16,23-28H,17-22,29-30H2,1-8H3,(H,48,51)(H,49,56)(H,50,55)(H2,52,53,57)
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n/an/a 17n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381149
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H51N7O7S/c1-44(2,3)30-21-28(24-39(45)52)41(57-5)37(25-30)50-43(54)49-36-11-12-38(35-10-7-6-9-34(35)36)58-32-13-15-46-40(27-32)48-31-22-29(23-33(26-31)56-4)42(53)47-14-8-16-51-17-19-59(55)20-18-51/h6-7,9-13,15,21-23,25-27H,8,14,16-20,24H2,1-5H3,(H2,45,52)(H,46,48)(H,47,53)(H2,49,50,54)
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n/an/a 18n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381020
PNG
(US9890185, Example 15(j))
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C36H38N7O4P/c1-21-16-24(17-22-20-38-43-32(21)22)39-34-37-15-14-31(42-34)47-29-13-12-27(25-10-8-9-11-26(25)29)40-35(44)41-28-18-23(36(2,3)4)19-30(33(28)46-5)48(6,7)45/h8-20H,1-7H3,(H,38,43)(H,37,39,42)(H2,40,41,44)
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n/an/a 19n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381158
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-3-((2-(dimethylamino)...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(=O)CN(C)C)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C47H59N7O9/c1-47(2,3)33-23-32(29-50-43(55)30-54(4)5)44(60-8)40(26-33)53-46(57)52-39-13-14-41(38-12-10-9-11-37(38)39)63-35-15-16-48-42(28-35)51-34-24-31(25-36(27-34)59-7)45(56)49-17-18-61-21-22-62-20-19-58-6/h9-16,23-28H,17-22,29-30H2,1-8H3,(H,48,51)(H,49,56)(H,50,55)(H2,52,53,57)
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n/an/a 20n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381153
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H48N6O7S/c1-42(2,3)27-23-34(39(53-5)37(24-27)56(6)51)47-41(50)46-33-13-14-35(31-10-8-7-9-30(31)33)55-29-15-16-43-38(26-29)45-28-11-12-32(36(25-28)52-4)40(49)44-17-18-48-19-21-54-22-20-48/h7-16,23-26H,17-22H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
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n/an/a 20n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381126
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H49N7O7/c1-43(2,3)29-20-27(23-38(44)51)40(55-5)36(24-29)49-42(53)48-35-10-11-37(34-9-7-6-8-33(34)35)57-31-12-13-45-39(26-31)47-30-21-28(22-32(25-30)54-4)41(52)46-14-15-50-16-18-56-19-17-50/h6-13,20-22,24-26H,14-19,23H2,1-5H3,(H2,44,51)(H,45,47)(H,46,52)(H2,48,49,53)
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n/an/a 21n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381102
PNG
(US9890185, Example 38(y))
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C45H54N6O9/c1-29(52)48-28-31-22-32(45(2,3)4)25-39(42(31)57-7)51-44(54)50-38-12-13-40(37-11-9-8-10-36(37)38)60-34-14-15-46-41(27-34)49-33-23-30(24-35(26-33)56-6)43(53)47-16-17-58-20-21-59-19-18-55-5/h8-15,22-27H,16-21,28H2,1-7H3,(H,46,49)(H,47,53)(H,48,52)(H2,50,51,54)
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n/an/a 21n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381134
PNG
(3-((4-((4-(3-(3-(2-Amino-2-oxoethyl)-5-(tert-butyl...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CC(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H52N6O9/c1-44(2,3)30-21-28(24-39(45)51)41(56-6)37(25-30)50-43(53)49-36-11-12-38(35-10-8-7-9-34(35)36)59-32-13-14-46-40(27-32)48-31-22-29(23-33(26-31)55-5)42(52)47-15-16-57-19-20-58-18-17-54-4/h7-14,21-23,25-27H,15-20,24H2,1-6H3,(H2,45,51)(H,46,48)(H,47,52)(H2,49,50,53)
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n/an/a 22n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381117
PNG
(US9890185, Example 38(an))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)(=O)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O8S2/c1-42(2,3)28-23-35(39(55-5)37(24-28)58(6,52)53)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)56-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)54-4)40(49)44-15-16-48-17-19-57(51)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
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n/an/a 24n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381068
PNG
(1-(5-(tert-Butyl)-3-((dimethylphosphoryl)methyl)-2...)
Show SMILES COCCOCCOCCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CP(C)(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C44H55N4O9P/c1-44(2,3)31-23-30(29-58(7,8)50)42(53-6)39(24-31)48-43(49)47-38-13-14-40(37-12-10-9-11-36(37)38)57-33-15-16-45-41(28-33)46-32-25-34(52-5)27-35(26-32)56-22-21-55-20-19-54-18-17-51-4/h9-16,23-28H,17-22,29H2,1-8H3,(H,45,46)(H2,47,48,49)
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n/an/a 24n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381127
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H48N6O7S/c1-42(2,3)28-23-35(39(53-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)52-4)40(49)44-15-16-48-17-19-54-20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
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n/an/a 25n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381167
PNG
(US9890185, Example 79(m))
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)S(=O)(=O)N(C)CCN1CCN(C)CC1
Show InChI InChI=1S/C44H56N7O7PS/c1-44(2,3)30-24-38(42(57-7)40(25-30)59(8,9)53)48-43(52)47-37-14-15-39(36-13-11-10-12-35(36)37)58-32-16-17-45-41(29-32)46-31-26-33(56-6)28-34(27-31)60(54,55)50(5)20-23-51-21-18-49(4)19-22-51/h10-17,24-29H,18-23H2,1-9H3,(H,45,46)(H2,47,48,52)
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n/an/a 25n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381129
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1
Show InChI InChI=1S/C43H51N5O9S/c1-43(2,3)29-24-36(40(54-6)38(25-29)58(7)51)48-42(50)47-35-12-13-37(34-11-9-8-10-33(34)35)57-31-14-15-44-39(27-31)46-30-22-28(23-32(26-30)53-5)41(49)45-16-17-55-20-21-56-19-18-52-4/h8-15,22-27H,16-21H2,1-7H3,(H,44,46)(H,45,49)(H2,47,48,50)
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n/an/a 25n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381152
PNG
(3-((4-((4-(3-(3-(Acetamidomethyl)-5-(tert-butyl)-2...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H51N7O7S/c1-28(52)47-27-30-21-31(44(2,3)4)24-38(41(30)57-6)50-43(54)49-37-11-12-39(36-10-8-7-9-35(36)37)58-33-13-14-45-40(26-33)48-32-22-29(23-34(25-32)56-5)42(53)46-15-16-51-17-19-59(55)20-18-51/h7-14,21-26H,15-20,27H2,1-6H3,(H,45,48)(H,46,53)(H,47,52)(H2,49,50,54)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381127
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H48N6O7S/c1-42(2,3)28-23-35(39(53-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)52-4)40(49)44-15-16-48-17-19-54-20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
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Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM381152
PNG
(3-((4-((4-(3-(3-(Acetamidomethyl)-5-(tert-butyl)-2...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(CNC(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H51N7O7S/c1-28(52)47-27-30-21-31(44(2,3)4)24-38(41(30)57-6)50-43(54)49-37-11-12-39(36-10-8-7-9-35(36)37)58-33-13-14-45-40(26-33)48-32-22-29(23-34(25-32)56-5)42(53)46-15-16-51-17-19-59(55)20-18-51/h7-14,21-26H,15-20,27H2,1-6H3,(H,45,48)(H,46,53)(H,47,52)(H2,49,50,54)
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n/an/a 26n/an/an/an/an/an/a



Cephalon



Assay Description
Method 2: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to t...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM381075
PNG
(1-(5-(tert-Butyl)-3-(dimethylphosphoryl)-2-methoxy...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccn(C)n4)c3)c3ccccc23)cc(cc1P(C)(C)=O)C(C)(C)C
Show InChI InChI=1S/C33H37N6O4P/c1-33(2,3)21-18-26(31(42-5)28(19-21)44(6,7)41)36-32(40)35-25-12-13-27(24-11-9-8-10-23(24)25)43-22-14-16-34-30(20-22)37-29-15-17-39(4)38-29/h8-20H,1-7H3,(H,34,37,38)(H2,35,36,40)
PDB
MMDB

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n/an/a 27n/an/an/an/an/an/a



Cephalon



Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM381080
PNG
(US9890185, Example 38(c))
Show SMILES COc1cc(CO)cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)P(C)(C)=O)C(C)(C)C)c4ccccc34)ccn2)c1
Show InChI InChI=1S/C37H41N4O6P/c1-37(2,3)24-18-31(35(46-5)33(19-24)48(6,7)44)41-36(43)40-30-12-13-32(29-11-9-8-10-28(29)30)47-26-14-15-38-34(21-26)39-25-16-23(22-42)17-27(20-25)45-4/h8-21,42H,22H2,1-7H3,(H,38,39)(H2,40,41,43)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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UniChem
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n/an/a 27n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...

J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%