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Compile Data Set for Download or QSAR

Found 1062 hits with Last Name = 'taddei' and Initial = 'm'   
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
Histone deacetylase 11


(Homo sapiens (Human))
BDBM50027494
PNG
(CHEMBL3356916)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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n/an/a 1n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC11 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205314
PNG
(US9249125, 67)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)c3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C42H43N9O4/c1-42(2,3)38-26-40(51(49-38)30-9-11-31(12-10-30)54-23-20-50-18-21-53-22-19-50)47-41(52)46-36-14-15-37(34-7-5-4-6-33(34)36)55-32-16-17-43-39(25-32)45-29-8-13-35-28(24-29)27-44-48-35/h4-17,24-27H,18-23H2,1-3H3,(H,43,45)(H,44,48)(H2,46,47,52)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50027494
PNG
(CHEMBL3356916)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50027494
PNG
(CHEMBL3356916)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027649
PNG
(CHEMBL3356527)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027650
PNG
(CHEMBL3356915)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1CCCNC1=O)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1/C19H27N3O3S/c23-17-15(10-7-12-20-17)18(24)22-16(11-5-2-6-13-26)19(25)21-14-8-3-1-4-9-14/h1,3-4,8-9,15-16,26H,2,5-7,10-13H2,(H,20,23)(H,21,25)(H,22,24)/t15-,16-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027494
PNG
(CHEMBL3356916)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027496
PNG
(CHEMBL3356918)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1/C18H25N3O3S/c22-16-11-10-15(20-16)18(24)21-14(9-5-2-6-12-25)17(23)19-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,25H,2,5-6,9-12H2,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027500
PNG
(CHEMBL3356922)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1/C19H27N3O3S/c1-13-6-5-7-14(12-13)20-18(24)15(8-3-2-4-11-26)22-19(25)16-9-10-17(23)21-16/h5-7,12,15-16,26H,2-4,8-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027519
PNG
(CHEMBL3356924)
Show SMILES CN1[C@H](CCC1=O)C(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(C)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-6-8-15(13-14)21-19(25)16(9-4-3-5-12-27)22-20(26)17-10-11-18(24)23(17)2/h6-8,13,16-17,27H,3-5,9-12H2,1-2H3,(H,21,25)(H,22,26)/t16-,17+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM205305
PNG
(US9249125, 58)
Show SMILES CN(C)CCOc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H43N9O3/c1-26-21-28(22-27-25-43-47-39(26)27)44-37-23-31(17-18-42-37)53-35-16-15-34(32-9-7-8-10-33(32)35)45-40(51)46-38-24-36(41(2,3)4)48-50(38)29-11-13-30(14-12-29)52-20-19-49(5)6/h7-18,21-25H,19-20H2,1-6H3,(H,42,44)(H,43,47)(H2,45,46,51)
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n/an/a<1n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50156158
PNG
(CHEMBL3781244)
Show SMILES CN(C)CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C35H39N7O3/c1-23-11-13-25(14-12-23)42-32(20-30(40-42)35(2,3)4)39-34(44)37-28-15-16-29(27-10-8-7-9-26(27)28)45-22-24-17-18-36-31(19-24)38-33(43)21-41(5)6/h7-20H,21-22H2,1-6H3,(H,36,38,43)(H2,37,39,44)
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Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205314
PNG
(US9249125, 67)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)c3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C42H43N9O4/c1-42(2,3)38-26-40(51(49-38)30-9-11-31(12-10-30)54-23-20-50-18-21-53-22-19-50)47-41(52)46-36-14-15-37(34-7-5-4-6-33(34)36)55-32-16-17-43-39(25-32)45-29-8-13-35-28(24-29)27-44-48-35/h4-17,24-27H,18-23H2,1-3H3,(H,43,45)(H,44,48)(H2,46,47,52)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205315
PNG
(US9249125, 68)
Show SMILES Cc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)cc4)C(C)(C)C)c4ccccc34)ccn2)cc2cn[nH]c12
Show InChI InChI=1S/C43H45N9O4/c1-28-23-30(24-29-27-45-49-41(28)29)46-39-25-33(15-16-44-39)56-37-14-13-36(34-7-5-6-8-35(34)37)47-42(53)48-40-26-38(43(2,3)4)50-52(40)31-9-11-32(12-10-31)55-22-19-51-17-20-54-21-18-51/h5-16,23-27H,17-22H2,1-4H3,(H,44,46)(H,45,49)(H2,47,48,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205321
PNG
(US9249125, 74)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n(CCN6CCOCC6)ncc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C47H53N11O5/c1-47(2,3)42-31-43(58(54-42)35-9-11-36(12-10-35)62-29-24-56-22-27-61-28-23-56)52-46(59)51-39-13-15-41(38-7-5-4-6-37(38)39)63-44-16-17-48-45(53-44)50-34-8-14-40-33(30-34)32-49-57(40)19-18-55-20-25-60-26-21-55/h4-17,30-32H,18-29H2,1-3H3,(H,48,50,53)(H2,51,52,59)
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n/an/a 1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205322
PNG
(US9249125, 75)
Show SMILES Cc1nc2cc(Nc3nccc(Oc4ccc(NC(=O)Nc5cc(nn5-c5ccc(OCCN6CCOCC6)cc5)C(C)(C)C)c5ccccc45)n3)ccc2[nH]1
Show InChI InChI=1S/C42H44N10O4/c1-27-44-34-14-9-28(25-35(34)45-27)46-40-43-18-17-39(49-40)56-36-16-15-33(31-7-5-6-8-32(31)36)47-41(53)48-38-26-37(42(2,3)4)50-52(38)29-10-12-30(13-11-29)55-24-21-51-19-22-54-23-20-51/h5-18,25-26H,19-24H2,1-4H3,(H,44,45)(H,43,46,49)(H2,47,48,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205337
PNG
(US9249125, 90)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5CC(=O)Nc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)nc1
Show InChI InChI=1S/C41H42N10O5/c1-41(2,3)34-24-35(51(49-34)28-10-13-37(43-25-28)55-21-18-50-16-19-54-20-17-50)47-40(53)46-31-11-12-33(30-7-5-4-6-29(30)31)56-38-14-15-42-39(48-38)44-27-9-8-26-22-36(52)45-32(26)23-27/h4-15,23-25H,16-22H2,1-3H3,(H,45,52)(H,42,44,48)(H2,46,47,53)
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US Patent
n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205338
PNG
(US9249125, 91)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)nc4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H43N11O4/c1-26-21-28(22-27-24-44-49-38(26)27)45-39-42-14-13-37(48-39)56-33-11-10-32(30-7-5-6-8-31(30)33)46-40(53)47-35-23-34(41(2,3)4)50-52(35)29-9-12-36(43-25-29)55-20-17-51-15-18-54-19-16-51/h5-14,21-25H,15-20H2,1-4H3,(H,44,49)(H,42,45,48)(H2,46,47,53)
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n/an/a 1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205339
PNG
(US9249125, 92)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n(CCN6CCOCC6)ncc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)nc1
Show InChI InChI=1S/C46H52N12O5/c1-46(2,3)40-29-41(58(54-40)34-9-13-42(48-31-34)62-27-22-56-20-25-61-26-21-56)52-45(59)51-37-10-12-39(36-7-5-4-6-35(36)37)63-43-14-15-47-44(53-43)50-33-8-11-38-32(28-33)30-49-57(38)17-16-55-18-23-60-24-19-55/h4-15,28-31H,16-27H2,1-3H3,(H,47,50,53)(H2,51,52,59)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205321
PNG
(US9249125, 74)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n(CCN6CCOCC6)ncc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C47H53N11O5/c1-47(2,3)42-31-43(58(54-42)35-9-11-36(12-10-35)62-29-24-56-22-27-61-28-23-56)52-46(59)51-39-13-15-41(38-7-5-4-6-37(38)39)63-44-16-17-48-45(53-44)50-34-8-14-40-33(30-34)32-49-57(40)19-18-55-20-25-60-26-21-55/h4-17,30-32H,18-29H2,1-3H3,(H,48,50,53)(H2,51,52,59)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205322
PNG
(US9249125, 75)
Show SMILES Cc1nc2cc(Nc3nccc(Oc4ccc(NC(=O)Nc5cc(nn5-c5ccc(OCCN6CCOCC6)cc5)C(C)(C)C)c5ccccc45)n3)ccc2[nH]1
Show InChI InChI=1S/C42H44N10O4/c1-27-44-34-14-9-28(25-35(34)45-27)46-40-43-18-17-39(49-40)56-36-16-15-33(31-7-5-6-8-32(31)36)47-41(53)48-38-26-37(42(2,3)4)50-52(38)29-10-12-30(13-11-29)55-24-21-51-19-22-54-23-20-51/h5-18,25-26H,19-24H2,1-4H3,(H,44,45)(H,43,46,49)(H2,47,48,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205333
PNG
(US9249125, 86)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1ccc(=O)n(CCO)c1
Show InChI InChI=1S/C36H34N10O4/c1-36(2,3)30-19-31(46(44-30)24-9-13-33(48)45(21-24)16-17-47)41-35(49)40-28-11-12-29(26-7-5-4-6-25(26)28)50-32-14-15-37-34(42-32)39-23-8-10-27-22(18-23)20-38-43-27/h4-15,18-21,47H,16-17H2,1-3H3,(H,38,43)(H,37,39,42)(H2,40,41,49)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205336
PNG
(US9249125, 89)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(=O)n(CCN5CCOCC5)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H43N11O4/c1-26-21-28(22-27-24-43-48-38(26)27)44-39-42-14-13-36(47-39)56-33-11-10-32(30-7-5-6-8-31(30)33)45-40(54)46-35-23-34(41(2,3)4)49-52(35)29-9-12-37(53)51(25-29)16-15-50-17-19-55-20-18-50/h5-14,21-25H,15-20H2,1-4H3,(H,43,48)(H,42,44,47)(H2,45,46,54)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205337
PNG
(US9249125, 90)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5CC(=O)Nc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)nc1
Show InChI InChI=1S/C41H42N10O5/c1-41(2,3)34-24-35(51(49-34)28-10-13-37(43-25-28)55-21-18-50-16-19-54-20-17-50)47-40(53)46-31-11-12-33(30-7-5-4-6-29(30)31)56-38-14-15-42-39(48-38)44-27-9-8-26-22-36(52)45-32(26)23-27/h4-15,23-25H,16-22H2,1-3H3,(H,45,52)(H,42,44,48)(H2,46,47,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205338
PNG
(US9249125, 91)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OCCN5CCOCC5)nc4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H43N11O4/c1-26-21-28(22-27-24-44-49-38(26)27)45-39-42-14-13-37(48-39)56-33-11-10-32(30-7-5-6-8-31(30)33)46-40(53)47-35-23-34(41(2,3)4)50-52(35)29-9-12-36(43-25-29)55-20-17-51-15-18-54-19-16-51/h5-14,21-25H,15-20H2,1-4H3,(H,44,49)(H,42,45,48)(H2,46,47,53)
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n/an/a 1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205339
PNG
(US9249125, 92)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5n(CCN6CCOCC6)ncc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)nc1
Show InChI InChI=1S/C46H52N12O5/c1-46(2,3)40-29-41(58(54-40)34-9-13-42(48-31-34)62-27-22-56-20-25-61-26-21-56)52-45(59)51-37-10-12-39(36-7-5-4-6-35(36)37)63-43-14-15-47-44(53-43)50-33-8-11-38-32(28-33)30-49-57(38)17-16-55-18-23-60-24-19-55/h4-15,28-31H,16-27H2,1-3H3,(H,47,50,53)(H2,51,52,59)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205298
PNG
(US9249125, 51)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)c3)c3ccccc23)n(n1)-c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H41N9O4/c1-27(2)37-25-40(50(48-37)30-6-5-7-31(23-30)53-21-18-49-16-19-52-20-17-49)46-41(51)45-36-12-13-38(34-9-4-3-8-33(34)36)54-32-14-15-42-39(24-32)44-29-10-11-35-28(22-29)26-43-47-35/h3-15,22-27H,16-21H2,1-2H3,(H,42,44)(H,43,47)(H2,45,46,51)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM205302
PNG
(US9249125, 55)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H42N10O4/c1-26(2)35-24-37(51(49-35)30-7-6-8-31(23-30)54-20-17-50-15-18-53-19-16-50)46-41(52)45-34-11-12-36(33-10-5-4-9-32(33)34)55-38-13-14-42-40(47-38)44-29-21-27(3)39-28(22-29)25-43-48-39/h4-14,21-26H,15-20H2,1-3H3,(H,43,48)(H,42,44,47)(H2,45,46,52)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205257
PNG
(US9249125, 10)
Show SMILES Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccc(CN5CCCC5=O)c4)C(C)(C)C)c4ccccc34)n2)cc2cn[nH]c12
Show InChI InChI=1S/C41H40N10O3/c1-25-19-28(21-27-23-43-48-38(25)27)44-39-42-17-16-36(47-39)54-33-15-14-32(30-11-5-6-12-31(30)33)45-40(53)46-35-22-34(41(2,3)4)49-51(35)29-10-7-9-26(20-29)24-50-18-8-13-37(50)52/h5-7,9-12,14-17,19-23H,8,13,18,24H2,1-4H3,(H,43,48)(H,42,44,47)(H2,45,46,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205262
PNG
(US9249125, 15)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)nc1
Show InChI InChI=1S/C40H41N11O4/c1-40(2,3)34-23-35(51(49-34)28-9-13-36(42-25-28)54-21-18-50-16-19-53-20-17-50)46-39(52)45-32-11-12-33(30-7-5-4-6-29(30)32)55-37-14-15-41-38(47-37)44-27-8-10-31-26(22-27)24-43-48-31/h4-15,22-25H,16-21H2,1-3H3,(H,43,48)(H,41,44,47)(H2,45,46,52)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205293
PNG
(US9249125, 46)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N(C)C)c4c3)n2)c2ccccc12)C(C)C
Show InChI InChI=1S/C38H36N10O4/c1-22(2)31-21-33(48(46-31)24-11-13-25(51-5)14-12-24)42-38(50)41-29-16-17-32(27-9-7-6-8-26(27)29)52-34-18-19-39-37(43-34)40-23-10-15-30-28(20-23)35(45-44-30)36(49)47(3)4/h6-22H,1-5H3,(H,44,45)(H,39,40,43)(H2,41,42,50)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205294
PNG
(US9249125, 47)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]nc(C(=O)N(C)C)c4c3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C39H38N10O4/c1-39(2,3)32-22-33(49(47-32)24-12-14-25(52-6)15-13-24)43-38(51)42-29-17-18-31(27-10-8-7-9-26(27)29)53-34-19-20-40-37(44-34)41-23-11-16-30-28(21-23)35(46-45-30)36(50)48(4)5/h7-22H,1-6H3,(H,45,46)(H,40,41,44)(H2,42,43,51)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205297
PNG
(US9249125, 50)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5CC(=O)Nc5c4)n3)c3ccccc23)n(n1)-c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C42H43N9O5/c1-42(2,3)36-26-37(51(49-36)29-7-6-8-30(25-29)55-22-19-50-17-20-54-21-18-50)47-41(53)46-33-13-14-35(32-10-5-4-9-31(32)33)56-39-15-16-43-40(48-39)44-28-12-11-27-23-38(52)45-34(27)24-28/h4-16,24-26H,17-23H2,1-3H3,(H,45,52)(H,43,44,48)(H2,46,47,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205298
PNG
(US9249125, 51)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)c3)c3ccccc23)n(n1)-c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H41N9O4/c1-27(2)37-25-40(50(48-37)30-6-5-7-31(23-30)53-21-18-49-16-19-52-20-17-49)46-41(51)45-36-12-13-38(34-9-4-3-8-33(34)36)54-32-14-15-42-39(24-32)44-29-10-11-35-28(22-29)26-43-47-35/h3-15,22-27H,16-21H2,1-2H3,(H,42,44)(H,43,47)(H2,45,46,51)
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US Patent
n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205302
PNG
(US9249125, 55)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)c5[nH]ncc5c4)n3)c3ccccc23)n(n1)-c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H42N10O4/c1-26(2)35-24-37(51(49-35)30-7-6-8-31(23-30)54-20-17-50-15-18-53-19-16-50)46-41(52)45-34-11-12-36(33-10-5-4-9-32(33)34)55-38-13-14-42-40(47-38)44-29-21-27(3)39-28(22-29)25-43-48-39/h4-14,21-26H,15-20H2,1-3H3,(H,43,48)(H,42,44,47)(H2,45,46,52)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205305
PNG
(US9249125, 58)
Show SMILES CN(C)CCOc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(C)c4[nH]ncc4c3)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H43N9O3/c1-26-21-28(22-27-25-43-47-39(26)27)44-37-23-31(17-18-42-37)53-35-16-15-34(32-9-7-8-10-33(32)35)45-40(51)46-38-24-36(41(2,3)4)48-50(38)29-11-13-30(14-12-29)52-20-19-49(5)6/h7-18,21-25H,19-20H2,1-6H3,(H,42,44)(H,43,47)(H2,45,46,51)
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US Patent
n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205308
PNG
(US9249125, 61)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5CC(=O)Nc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C41H41N9O5/c1-26(2)34-25-37(50(48-34)29-9-11-30(12-10-29)54-22-19-49-17-20-53-21-18-49)46-41(52)45-33-13-14-36(32-6-4-3-5-31(32)33)55-39-15-16-42-40(47-39)43-28-8-7-27-23-38(51)44-35(27)24-28/h3-16,24-26H,17-23H2,1-2H3,(H,44,51)(H,42,43,47)(H2,45,46,52)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205310
PNG
(US9249125, 63)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5CNC(=O)c5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C42H43N9O5/c1-42(2,3)36-25-37(51(49-36)29-10-12-30(13-11-29)55-23-20-50-18-21-54-22-19-50)47-41(53)46-34-14-15-35(32-7-5-4-6-31(32)34)56-38-16-17-43-40(48-38)45-28-9-8-27-26-44-39(52)33(27)24-28/h4-17,24-25H,18-23,26H2,1-3H3,(H,44,52)(H,43,45,48)(H2,46,47,53)
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n/an/a<1n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM205331
PNG
(US9249125, 84)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3cc(Nc4ccc5[nH]ncc5c4)ncn3)c3ccccc23)n(n1)-c1ccc(=O)n(CCO)c1
Show InChI InChI=1S/C35H32N10O4/c1-21(2)29-16-32(45(43-29)24-8-12-34(47)44(19-24)13-14-46)41-35(48)40-28-10-11-30(26-6-4-3-5-25(26)28)49-33-17-31(36-20-37-33)39-23-7-9-27-22(15-23)18-38-42-27/h3-12,15-21,46H,13-14H2,1-2H3,(H,38,42)(H,36,37,39)(H2,40,41,48)
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n/an/a<1.5n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM206344
PNG
(US9260410, 2)
Show SMILES CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C33H34N6O3/c1-21-10-12-24(13-11-21)39-31(19-29(38-39)33(3,4)5)37-32(41)36-27-14-15-28(26-9-7-6-8-25(26)27)42-20-23-16-17-34-30(18-23)35-22(2)40/h6-19H,20H2,1-5H3,(H,34,35,40)(H2,36,37,41)
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Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205307
PNG
(US9249125, 60)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5COCc5c4)n3)c3ccccc23)n(n1)-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C42H44N8O5/c1-42(2,3)37-25-38(50(48-37)31-10-12-32(13-11-31)54-23-20-49-18-21-52-22-19-49)46-41(51)45-35-14-15-36(34-7-5-4-6-33(34)35)55-39-16-17-43-40(47-39)44-30-9-8-28-26-53-27-29(28)24-30/h4-17,24-25H,18-23,26-27H2,1-3H3,(H,43,44,47)(H2,45,46,51)
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n/an/a 2n/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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50156162
PNG
(CHEMBL3781245)
Show SMILES CSCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O3S/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)43-20-23-16-17-35-30(18-23)37-32(41)21-44-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38 alpha assessed as phosphorylation of MAPKAP-K2 preincubated for 2 hrs followed by FRET peptide and MAPKAP-K2 addi...


J Med Chem 59: 1727-46 (2016)


BindingDB Entry DOI: 10.7270/Q2319XRB
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50027494
PNG
(CHEMBL3356916)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-5-8-15(13-14)21-19(25)17(9-3-2-4-12-27)23-20(26)16-10-6-11-18(24)22-16/h5,7-8,13,16-17,27H,2-4,6,9-12H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (Human))
BDBM50027519
PNG
(CHEMBL3356924)
Show SMILES CN1[C@H](CCC1=O)C(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(C)c1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-7-6-8-15(13-14)21-19(25)16(9-4-3-5-12-27)22-20(26)17-10-11-18(24)23(17)2/h6-8,13,16-17,27H,3-5,9-12H2,1-2H3,(H,21,25)(H,22,26)/t16-,17+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC10 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50027521
PNG
(CHEMBL3356925)
Show SMILES SCCCCC[C@H](NC(=O)[C@H]1[C@@H](CNC1=O)c1ccccc1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1/C24H29N3O3S/c28-22(26-18-12-6-2-7-13-18)20(14-8-3-9-15-31)27-24(30)21-19(16-25-23(21)29)17-10-4-1-5-11-17/h1-2,4-7,10-13,19-21,31H,3,8-9,14-16H2,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,21-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC3 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027495
PNG
(CHEMBL3356917)
Show SMILES Cc1ccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@@H]2CCCC(=O)N2)cc1 |r|
Show InChI InChI=1/C20H29N3O3S/c1-14-9-11-15(12-10-14)21-19(25)17(6-3-2-4-13-27)23-20(26)16-7-5-8-18(24)22-16/h9-12,16-17,27H,2-8,13H2,1H3,(H,21,25)(H,22,24)(H,23,26)/t16-,17-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027501
PNG
(CHEMBL3356923)
Show SMILES Cc1cccc(NC(=O)[C@H](CCCCCS)NC(=O)[C@H]2CCC(=O)N2)c1 |r|
Show InChI InChI=1/C19H27N3O3S/c1-13-6-5-7-14(12-13)20-18(24)15(8-3-2-4-11-26)22-19(25)16-9-10-17(23)21-16/h5-7,12,15-16,26H,2-4,8-11H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t15-,16+/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50027589
PNG
(CHEMBL3356929)
Show SMILES SCCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1/C17H23N3O3S/c21-15-11-14(19-15)17(23)20-13(9-5-2-6-10-24)16(22)18-12-7-3-1-4-8-12/h1,3-4,7-8,13-14,24H,2,5-6,9-11H2,(H,18,22)(H,19,21)(H,20,23)/t13-,14-/s2
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R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA

Curated by ChEMBL


Assay Description
Inhibition of HDAC6 (unknown origin) using fluorogenic tetrapeptide RHKK(Ac) substrate by fluorescence assay


J Med Chem 57: 8358-77 (2014)


Article DOI: 10.1021/jm5008209
BindingDB Entry DOI: 10.7270/Q2JW8GGN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM205298
PNG
(US9249125, 51)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc5[nH]ncc5c4)c3)c3ccccc23)n(n1)-c1cccc(OCCN2CCOCC2)c1
Show InChI InChI=1S/C41H41N9O4/c1-27(2)37-25-40(50(48-37)30-6-5-7-31(23-30)53-21-18-49-16-19-52-20-17-49)46-41(51)45-36-12-13-38(34-9-4-3-8-33(34)36)54-32-14-15-42-39(24-32)44-29-10-11-35-28(22-29)26-43-47-35/h3-15,22-27H,16-21H2,1-2H3,(H,42,44)(H,43,47)(H2,45,46,51)
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


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


US Patent US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM205255
PNG
(US9249125, 8)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c2ccccc12)C1CCOC1
Show InChI InChI=1/C36H31N9O4/c1-47-26-9-7-25(8-10-26)45-33(19-31(44-45)22-15-17-48-21-22)41-36(46)40-30-12-13-32(28-5-3-2-4-27(28)30)49-34-14-16-37-35(42-34)39-24-6-11-29-23(18-24)20-38-43-29/h2-14,16,18-20,22H,15,17,21H2,1H3,(H,38,43)(H,37,39,42)(H2,40,41,46)
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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 US9249125 (2016)


BindingDB Entry DOI: 10.7270/Q2CN72QG
More data for this
Ligand-Target Pair
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