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Compile Data Set for Download or QSAR

Found 1404 hits with Last Name = 'baker' and Initial = 'tm'   
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
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298445
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C41H48N6O11S/c1-41(2,3)23-17-30(38(57-5)31(18-23)47-59(6,54)55)46-40(53)45-29-13-14-34(27-10-8-7-9-26(27)29)58-25-15-16-42-36(20-25)44-24-11-12-28(35(19-24)56-4)39(52)43-21-32(49)37(51)33(50)22-48/h7-20,32-33,37,47-51H,21-22H2,1-6H3,(H,42,44)(H,43,52)(H2,45,46,53)/t32-,33+,37-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM337707
PNG
(US10392346, Example 17(am) | US10941115, Example 1...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(O)=O)c(c4)N(C)C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C37H40N6O7S/c1-37(2,3)22-18-29(34(49-6)30(19-22)42-51(7,47)48)41-36(46)40-28-14-15-32(26-11-9-8-10-25(26)28)50-24-16-17-38-33(21-24)39-23-12-13-27(35(44)45)31(20-23)43(4)5/h8-21,42H,1-7H3,(H,38,39)(H,44,45)(H2,40,41,46)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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Topivert Pharma Limited

US Patent


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

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
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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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))		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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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
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298426
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-6)37(26-29)49-60(7,54)55)48-43(53)47-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)46-30-13-14-34(39(27-30)56-5)42(52)50(4)19-10-20-51-21-23-58-24-22-51/h8-9,11-18,25-28,49H,10,19-24H2,1-7H3,(H,45,46)(H2,47,48,53)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298442
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN(C)C
Show InChI InChI=1S/C41H49N7O8S/c1-41(2,3)25-20-31(38(55-8)32(21-25)47-57(9,51)52)46-40(50)45-30-14-15-33(29-13-11-10-12-28(29)30)56-27-16-17-42-36(24-27)44-26-22-34(53-6)37(35(23-26)54-7)39(49)43-18-19-48(4)5/h10-17,20-24,47H,18-19H2,1-9H3,(H,42,44)(H,43,49)(H2,45,46,50)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM256521
PNG
(US10435361, Example 20 | US9481648, 20 | US9790174...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C41H48N6O9/c1-41(2,3)26-21-32(38(42)48)37(52-6)34(22-26)46-40(49)45-33-11-12-35(31-10-8-7-9-30(31)33)56-36-13-14-43-39(47-36)44-27-23-28(51-5)25-29(24-27)55-20-19-54-18-17-53-16-15-50-4/h7-14,21-25H,15-20H2,1-6H3,(H2,42,48)(H,43,44,47)(H2,45,46,49)
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Respivert Limited; Topivert Pharma Limited

US Patent


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...

US Patent US9481648 (2016)


BindingDB Entry DOI: 10.7270/Q24F1PNH
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
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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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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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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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
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298436
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-63(6,54)55)47-41(50)46-33-13-14-36(31-10-8-7-9-30(31)33)61-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(49)44-17-18-58-19-20-59-21-22-60-62(51,52)53/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298436
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-63(6,54)55)47-41(50)46-33-13-14-36(31-10-8-7-9-30(31)33)61-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(49)44-17-18-58-19-20-59-21-22-60-62(51,52)53/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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n/an/a 8n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


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

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
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n/an/a 8n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


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

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM256511
PNG
(US10435361, Example 9 | US9481648, 9 | US9790174, ...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C43H46N8O6/c1-7-27-22-28(39(52)45-16-17-51-18-20-56-21-19-51)24-30(23-27)47-41-46-15-14-37(50-41)57-36-13-12-34(31-10-8-9-11-32(31)36)48-42(54)49-35-26-29(43(2,3)4)25-33(38(35)55-6)40(53)44-5/h1,8-15,22-26H,16-21H2,2-6H3,(H,44,53)(H,45,52)(H,46,47,50)(H2,48,49,54)
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n/an/a 8n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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...

US Patent US9481648 (2016)


BindingDB Entry DOI: 10.7270/Q24F1PNH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM337710
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCCOCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-22-34(39(57-5)35(23-27)48-63(6,54)55)47-41(50)46-33-14-15-36(31-11-8-7-10-30(31)33)61-29-16-17-43-38(25-29)45-28-12-13-32(37(24-28)56-4)40(49)44-18-21-58-19-9-20-59-26-60-62(51,52)53/h7-8,10-17,22-25,48H,9,18-21,26H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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n/an/a 8n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM337710
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCCOCOP(O)(O)=O
Show InChI InChI=1S/C42H51N6O13PS/c1-42(2,3)27-22-34(39(57-5)35(23-27)48-63(6,54)55)47-41(50)46-33-14-15-36(31-11-8-7-10-30(31)33)61-29-16-17-43-38(25-29)45-28-12-13-32(37(24-28)56-4)40(49)44-18-21-58-19-9-20-59-26-60-62(51,52)53/h7-8,10-17,22-25,48H,9,18-21,26H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)(H2,51,52,53)
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n/an/a 8n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
Method 1The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the...

US Patent US9751837 (2017)


BindingDB Entry DOI: 10.7270/Q2028TP7
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM347466
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES CNc1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCOCCOCCOC)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H51N7O8/c1-42(2,3)28-24-34(43-4)38(54-7)35(25-28)48-41(51)47-33-12-13-36(32-11-9-8-10-31(32)33)57-37-14-15-45-40(49-37)46-29-22-27(23-30(26-29)53-6)39(50)44-16-17-55-20-21-56-19-18-52-5/h8-15,22-26,43H,16-21H2,1-7H3,(H,44,50)(H,45,46,49)(H2,47,48,51)
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n/an/a 9n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
TBD

US Patent US10435361 (2019)


BindingDB Entry DOI: 10.7270/Q25M6839
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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n/an/a 9n/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))		BDBM256515
PNG
(US10435361, Example 13 | US9481648, 13 | US9790174...)
Show SMILES CNC(=O)c1cc(cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(OCCOCCOCCOC)c4)n3)c3ccccc23)c1OC)C(C)(C)C
Show InChI InChI=1S/C42H50N6O9/c1-42(2,3)27-22-33(39(49)43-4)38(53-7)35(23-27)47-41(50)46-34-12-13-36(32-11-9-8-10-31(32)34)57-37-14-15-44-40(48-37)45-28-24-29(52-6)26-30(25-28)56-21-20-55-19-18-54-17-16-51-5/h8-15,22-26H,16-21H2,1-7H3,(H,43,49)(H,44,45,48)(H2,46,47,50)
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n/an/a 9n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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...

US Patent US9481648 (2016)


BindingDB Entry DOI: 10.7270/Q24F1PNH
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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n/an/a 9n/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))		BDBM256509
PNG
(US9481648, 7)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C42H51N7O10S/c1-42(2,3)28-24-34(38(56-6)35(25-28)49-60(7,52)53)47-41(51)46-33-12-13-36(32-11-9-8-10-31(32)33)59-37-14-15-44-40(48-37)45-29-22-27(23-30(26-29)55-5)39(50)43-16-17-57-20-21-58-19-18-54-4/h8-15,22-26,49H,16-21H2,1-7H3,(H,43,50)(H,44,45,48)(H2,46,47,51)
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n/an/a 9n/an/an/an/an/an/a



Respivert Limited; Topivert Pharma Limited

US Patent


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...

US Patent US9481648 (2016)


BindingDB Entry DOI: 10.7270/Q24F1PNH
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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n/an/a 9n/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
Plasma kallikrein


(Homo sapiens (Human))		BDBM598412
PNG
(1-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl...)
Show SMILES CCN1CCc2ccc(Cn3cc(C(=O)NCc4c(F)c(OC)ccc4-n4cc(C)nn4)c(COC)n3)cc2C1
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598413
PNG
(N-{[2-fluoro-3-methoxy-6-(4-methyl-1,2,3-triazol-1...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C(C)C)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cc(C)nn1
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598414
PNG
(1-((2-cyclobutyl-1,2,3,4-tetrahydroisoquinolin-7-y...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C2CCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cc(C)nn1
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598415
PNG
(1-[(2-cyclopropyl-3,4-dihydro-1H-isoquinolin-7-yl)...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C2CC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnc(n1)C(F)F
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598417
PNG
(N-{[6-(3-cyanopyrazol-1-yl)-2-fluoro-3-methoxyphen...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C2CC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1ccc(n1)C#N
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598418
PNG
(N-({2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C(C)C)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnc(n1)C(F)(F)F
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598419
PNG
(N-({6-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-2-fl...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C(C)C)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnc(n1)C(F)F
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598420
PNG
(N-{[6-(3-cyanopyrazol-1-yl)-2-fluoro-3-methoxyphen...)
Show SMILES COCc1nn(Cc2ccc3CCN(Cc3c2)C(C)C)cc1C(=O)NCc1c(F)c(OC)ccc1-n1ccc(n1)C#N
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n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598421
PNG
(1-[(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl...)
Show SMILES CCN1CCc2ccc(Cn3cc(C(=O)NCc4c(F)c(OC)ccc4-n4cnc(n4)C(F)(F)F)c(COC)n3)cc2C1
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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598422
PNG
(N-({6-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-2-fl...)
Show SMILES CCN1CCc2ccc(Cn3cc(C(=O)NCc4c(F)c(OC)ccc4-n4cnc(n4)C(F)F)c(COC)n3)cc2C1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598423
PNG
(N-{[6-(3-cyanopyrazol-1-yl)-2-fluoro-3-methoxyphen...)
Show SMILES CCN1CCc2ccc(Cn3cc(C(=O)NCc4c(F)c(OC)ccc4-n4ccc(n4)C#N)c(COC)n3)cc2C1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598424
PNG
(N-{[6-(dimethyl-1,2,4-triazol-1-yl)-2-fluoro-3-met...)
Show SMILES COCc1nn(Cc2ccc3CCN(C)Cc3c2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1nc(C)nc1C
PDB

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Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298392
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
Show InChI InChI=1S/C44H53N7O7S/c1-44(2,3)29-24-36(41(57-6)37(25-29)50-59(7,54)55)49-43(53)48-35-14-15-38(33-11-9-8-10-32(33)35)58-31-17-21-45-40(27-31)47-30-12-13-34(39(26-30)56-5)42(52)46-20-16-28-18-22-51(4)23-19-28/h8-15,17,21,24-28,50H,16,18-20,22-23H2,1-7H3,(H,45,47)(H,46,52)(H2,48,49,53)
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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 [174-256]


(Homo sapiens (Human))		BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB

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Topivert Pharma Limited

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM256519
PNG
(US10435361, Example 18 | US9481648, 18 | US9790174...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)cc(OCCOCCOCCN2CCOCC2)c1
Show InChI InChI=1S/C44H55N7O10S/c1-44(2,3)30-25-37(41(56-5)38(26-30)50-62(6,53)54)48-43(52)47-36-11-12-39(35-10-8-7-9-34(35)36)61-40-13-14-45-42(49-40)46-31-27-32(55-4)29-33(28-31)60-24-23-59-22-21-58-20-17-51-15-18-57-19-16-51/h7-14,25-29,50H,15-24H2,1-6H3,(H,45,46,49)(H2,47,48,52)
PDB
MMDB

KEGG

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Respivert Limited; Topivert Pharma Limited

US Patent


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...

US Patent US9481648 (2016)


BindingDB Entry DOI: 10.7270/Q24F1PNH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598493
PNG
(3-(difluoromethyl)-N-{[2-fluoro-3-methoxy-6-(4-met...)
Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3cnc4CN(C)CCc4c3)nc2C(F)F)c1F)-n1cc(C)nn1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598500
PNG
(N-{[2-fluoro-3-methoxy-6-(4-methyl-1,2,3-triazol-1...)
Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc4CCN(C)Cc4c3)nn2)c1F)-n1cc(C)nn1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598501
PNG
(N-{[2-fluoro-3-methoxy-6-(4-methyl-1,2,3-triazol-1...)
Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc4CN(Cc4c3)C(C)C)nn2)c1F)-n1cc(C)nn1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598503
PNG
(N-({2-chloro-6-[3-(difluoromethyl)-1,2,4-triazol-1...)
Show SMILES COCc1nn(Cc2ccc3CCN(C)Cc3c2)cc1C(=O)NCc1c(Cl)c(OC)ccc1-n1cnc(n1)C(F)F
PDB

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Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598505
PNG
(N-({2-fluoro-3-methoxy-6-[3-(trifluoromethyl)-1,2,...)
Show SMILES COCc1nn(Cc2ccc3CCN(C)CCc3c2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnc(n1)C(F)(F)F
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598507
PNG
(N-{[2-fluoro-3-methoxy-6-(4-methyl-1,2,3-triazol-1...)
Show SMILES COc1ccc(c(CNC(=O)c2ccc(=O)n(Cc3ccc4CCN(C)Cc4c3)c2)c1F)-n1cc(C)nn1
PDB

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Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598508
PNG
(N-{[2-fluoro-3-methoxy-6-(4-methyl-1,2,3-triazol-1...)
Show SMILES COc1ccc(c(CNC(=O)c2cncc(Cc3ccc4CCN(C)Cc4c3)c2)c1F)-n1cc(C)nn1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))		BDBM598510
PNG
(N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...)
Show SMILES COCc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1
PDB

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TBA

Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5ZZZ
More data for this
Ligand-Target Pair
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