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Compile Data Set for Download or QSAR

Found 626 hits with Last Name = 'riou' and Initial = 'a'   
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
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a 0.251n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to full-length BRD4 short isoform (unknown origin) by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 bromodomain 1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD4 bromodomain 1/2 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD3 bromodomain 1 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247123
PNG
(3-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C43H47N9O5/c1-28(2)37-27-39(52(49-37)32-12-10-29(3)11-13-32)47-43(54)46-36-14-15-38(35-9-7-6-8-34(35)36)57-40-16-17-44-42(48-40)45-31-24-30(25-33(26-31)55-5)41(53)50(4)18-19-51-20-22-56-23-21-51/h6-17,24-28H,18-23H2,1-5H3,(H,44,45,48)(H2,46,47,54)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247070
PNG
(3-((6-((4-(3-(3-isopropyl-1-(4-methoxyphenyl)-1H-p...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2cc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)ncn2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C43H47N9O6/c1-43(2,3)37-25-39(52(50-37)30-10-12-31(55-4)13-11-30)49-42(54)48-35-14-15-36(34-9-7-6-8-33(34)35)58-40-26-38(45-27-46-40)47-29-22-28(23-32(24-29)56-5)41(53)44-16-17-51-18-20-57-21-19-51/h6-15,22-27H,16-21H2,1-5H3,(H,44,53)(H,45,46,47)(H2,48,49,54)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247124
PNG
(1-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C41H43N9O4/c1-26(2)35-25-37(50(47-35)30-12-10-27(3)11-13-30)45-41(52)44-34-14-15-36(33-9-7-6-8-32(33)34)54-38-16-17-42-40(46-38)43-29-22-28(23-31(24-29)53-5)39(51)49-20-18-48(4)19-21-49/h6-17,22-26H,18-21H2,1-5H3,(H,42,43,46)(H2,44,45,52)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247126
PNG
(3-((6-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)ncn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H45N9O5/c1-27(2)36-24-39(51(49-36)31-11-9-28(3)10-12-31)48-42(53)47-35-13-14-37(34-8-6-5-7-33(34)35)56-40-25-38(44-26-45-40)46-30-21-29(22-32(23-30)54-4)41(52)43-15-16-50-17-19-55-20-18-50/h5-14,21-27H,15-20H2,1-4H3,(H,43,52)(H,44,45,46)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247127
PNG
(3-((6-((4-(3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)ncn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H47N9O5/c1-28-10-12-31(13-11-28)52-39(25-37(50-52)43(2,3)4)49-42(54)48-35-14-15-36(34-9-7-6-8-33(34)35)57-40-26-38(45-27-46-40)47-30-22-29(23-32(24-30)55-5)41(53)44-16-17-51-18-20-56-21-19-51/h6-15,22-27H,16-21H2,1-5H3,(H,44,53)(H,45,46,47)(H2,48,49,54)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247123
PNG
(3-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C43H47N9O5/c1-28(2)37-27-39(52(49-37)32-12-10-29(3)11-13-32)47-43(54)46-36-14-15-38(35-9-7-6-8-34(35)36)57-40-16-17-44-42(48-40)45-31-24-30(25-33(26-31)55-5)41(53)50(4)18-19-51-20-22-56-23-21-51/h6-17,24-28H,18-23H2,1-5H3,(H,44,45,48)(H2,46,47,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247064
PNG
(3-((4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H45N9O5/c1-27(2)36-26-38(51(49-36)31-11-9-28(3)10-12-31)47-42(53)46-35-13-14-37(34-8-6-5-7-33(34)35)56-39-15-16-44-41(48-39)45-30-23-29(24-32(25-30)54-4)40(52)43-17-18-50-19-21-55-22-20-50/h5-16,23-27H,17-22H2,1-4H3,(H,43,52)(H,44,45,48)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247100
PNG
(3-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(C)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C42H45N9O4/c1-27(2)36-26-38(51(49-36)32-11-9-28(3)10-12-32)47-42(53)46-35-13-14-37(34-8-6-5-7-33(34)35)55-39-15-16-44-41(48-39)45-31-24-29(4)23-30(25-31)40(52)43-17-18-50-19-21-54-22-20-50/h5-16,23-27H,17-22H2,1-4H3,(H,43,52)(H,44,45,48)(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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247104
PNG
(3-((4-((4-(3-(3-ethyl-1-(p-tolyl)-1H-pyrazol-5-yl)...)
Show SMILES CCc1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C41H43N9O5/c1-4-29-26-37(50(48-29)31-11-9-27(2)10-12-31)46-41(52)45-35-13-14-36(34-8-6-5-7-33(34)35)55-38-15-16-43-40(47-38)44-30-23-28(24-32(25-30)53-3)39(51)42-17-18-49-19-21-54-22-20-49/h5-16,23-26H,4,17-22H2,1-3H3,(H,42,51)(H,43,44,47)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247105
PNG
(3-((4-((4-(3-(3-cyclopropyl-1-(p-tolyl)-1H-pyrazol...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C4CC4)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H43N9O5/c1-27-7-11-31(12-8-27)51-38(26-36(49-51)28-9-10-28)47-42(53)46-35-13-14-37(34-6-4-3-5-33(34)35)56-39-15-16-44-41(48-39)45-30-23-29(24-32(25-30)54-2)40(52)43-17-18-50-19-21-55-22-20-50/h3-8,11-16,23-26,28H,9-10,17-22H2,1-2H3,(H,43,52)(H,44,45,48)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247106
PNG
(3-methoxy-5-((4-((4-(3-(3-(1-methylcyclopropyl)-1-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C4(C)CC4)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H45N9O5/c1-28-8-10-31(11-9-28)52-38(27-37(50-52)43(2)15-16-43)48-42(54)47-35-12-13-36(34-7-5-4-6-33(34)35)57-39-14-17-45-41(49-39)46-30-24-29(25-32(26-30)55-3)40(53)44-18-19-51-20-22-56-23-21-51/h4-14,17,24-27H,15-16,18-23H2,1-3H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247108
PNG
(3-((4-((4-(3-(3-isopropyl-1-(4-methoxyphenyl)-1H-p...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)C
Show InChI InChI=1S/C42H45N9O6/c1-27(2)36-26-38(51(49-36)30-9-11-31(54-3)12-10-30)47-42(53)46-35-13-14-37(34-8-6-5-7-33(34)35)57-39-15-16-44-41(48-39)45-29-23-28(24-32(25-29)55-4)40(52)43-17-18-50-19-21-56-22-20-50/h5-16,23-27H,17-22H2,1-4H3,(H,43,52)(H,44,45,48)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247111
PNG
(3-((4-((4-(3-(1-(3,4-dimethylphenyl)-3-isopropyl-1...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)c(C)c4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H47N9O5/c1-27(2)37-26-39(52(50-37)32-11-10-28(3)29(4)22-32)48-43(54)47-36-12-13-38(35-9-7-6-8-34(35)36)57-40-14-15-45-42(49-40)46-31-23-30(24-33(25-31)55-5)41(53)44-16-17-51-18-20-56-21-19-51/h6-15,22-27H,16-21H2,1-5H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247112
PNG
(3-((4-((4-(3-(3-(tert-butyl)-1-(6-methoxypyridin-3...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(OC)nc4)C(C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H46N10O6/c1-42(2,3)35-25-36(52(50-35)29-10-13-37(56-5)45-26-29)48-41(54)47-33-11-12-34(32-9-7-6-8-31(32)33)58-38-14-15-44-40(49-38)46-28-22-27(23-30(24-28)55-4)39(53)43-16-17-51-18-20-57-21-19-51/h6-15,22-26H,16-21H2,1-5H3,(H,43,53)(H,44,46,49)(H2,47,48,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247113
PNG
(3-methoxy-5-((4-((4-(3-(1-(4-methoxyphenyl)-3-(tet...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1CCCO1
Show InChI InChI=1S/C43H45N9O7/c1-55-31-11-9-30(10-12-31)52-39(27-36(50-52)38-8-5-21-58-38)48-43(54)47-35-13-14-37(34-7-4-3-6-33(34)35)59-40-15-16-45-42(49-40)46-29-24-28(25-32(26-29)56-2)41(53)44-17-18-51-19-22-57-23-20-51/h3-4,6-7,9-16,24-27,38H,5,8,17-23H2,1-2H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247113
PNG
(3-methoxy-5-((4-((4-(3-(1-(4-methoxyphenyl)-3-(tet...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1CCCO1
Show InChI InChI=1S/C43H45N9O7/c1-55-31-11-9-30(10-12-31)52-39(27-36(50-52)38-8-5-21-58-38)48-43(54)47-35-13-14-37(34-7-4-3-6-33(34)35)59-40-15-16-45-42(49-40)46-29-24-28(25-32(26-29)56-2)41(53)44-17-18-51-19-22-57-23-20-51/h3-4,6-7,9-16,24-27,38H,5,8,17-23H2,1-2H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247114
PNG
(3-methoxy-5-((4-((4-(3-(1-(4-methoxyphenyl)-3-(tet...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1CCOC1
Show InChI InChI=1S/C43H45N9O7/c1-55-32-9-7-31(8-10-32)52-39(26-37(50-52)28-14-20-58-27-28)48-43(54)47-36-11-12-38(35-6-4-3-5-34(35)36)59-40-13-15-45-42(49-40)46-30-23-29(24-33(25-30)56-2)41(53)44-16-17-51-18-21-57-22-19-51/h3-13,15,23-26,28H,14,16-22,27H2,1-2H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247078
PNG
(3-((4-((4-(3-(3-(3-methyloxetan-3-yl)-1-(p-tolyl)-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1(C)COC1
Show InChI InChI=1S/C42H43N9O5/c1-28-10-12-31(13-11-28)51-37(25-36(49-51)42(2)26-55-27-42)47-41(53)46-34-14-15-35(33-9-4-3-8-32(33)34)56-38-16-17-44-40(48-38)45-30-7-5-6-29(24-30)39(52)43-18-19-50-20-22-54-23-21-50/h3-17,24-25H,18-23,26-27H2,1-2H3,(H,43,52)(H,44,45,48)(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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247078
PNG
(3-((4-((4-(3-(3-(3-methyloxetan-3-yl)-1-(p-tolyl)-...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1(C)COC1
Show InChI InChI=1S/C42H43N9O5/c1-28-10-12-31(13-11-28)51-37(25-36(49-51)42(2)26-55-27-42)47-41(53)46-34-14-15-35(33-9-4-3-8-32(33)34)56-38-16-17-44-40(48-38)45-30-7-5-6-29(24-30)39(52)43-18-19-50-20-22-54-23-21-50/h3-17,24-25H,18-23,26-27H2,1-2H3,(H,43,52)(H,44,45,48)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247079
PNG
(3-((4-((4-(3-(1-(4-methoxyphenyl)-3-(3-methyloxeta...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1(C)COC1
Show InChI InChI=1S/C42H43N9O6/c1-42(26-56-27-42)36-25-37(51(49-36)30-10-12-31(54-2)13-11-30)47-41(53)46-34-14-15-35(33-9-4-3-8-32(33)34)57-38-16-17-44-40(48-38)45-29-7-5-6-28(24-29)39(52)43-18-19-50-20-22-55-23-21-50/h3-17,24-25H,18-23,26-27H2,1-2H3,(H,43,52)(H,44,45,48)(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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247079
PNG
(3-((4-((4-(3-(1-(4-methoxyphenyl)-3-(3-methyloxeta...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C1(C)COC1
Show InChI InChI=1S/C42H43N9O6/c1-42(26-56-27-42)36-25-37(51(49-36)30-10-12-31(54-2)13-11-30)47-41(53)46-34-14-15-35(33-9-4-3-8-32(33)34)57-38-16-17-44-40(48-38)45-29-7-5-6-28(24-29)39(52)43-18-19-50-20-22-55-23-21-50/h3-17,24-25H,18-23,26-27H2,1-2H3,(H,43,52)(H,44,45,48)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247080
PNG
(3-((4-((4-(3-(3-(tert-butyl)-1-(4-methylthiophen-2...)
Show SMILES Cc1csc(c1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C40H43N9O4S/c1-26-22-36(54-25-26)49-34(24-33(47-49)40(2,3)4)45-39(51)44-31-12-13-32(30-11-6-5-10-29(30)31)53-35-14-15-42-38(46-35)43-28-9-7-8-27(23-28)37(50)41-16-17-48-18-20-52-21-19-48/h5-15,22-25H,16-21H2,1-4H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247084
PNG
(N-(2-(dimethylamino)ethyl)-3-((4-((4-(3-(3-isoprop...)
Show SMILES COc1ccc(cc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)C)c3ccccc23)n1)C(=O)NCCN(C)C
Show InChI InChI=1S/C40H43N9O4/c1-25(2)32-24-36(49(47-32)28-14-11-26(3)12-15-28)45-40(51)44-31-16-18-34(30-10-8-7-9-29(30)31)53-37-19-20-42-39(46-37)43-33-23-27(13-17-35(33)52-6)38(50)41-21-22-48(4)5/h7-20,23-25H,21-22H2,1-6H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247084
PNG
(N-(2-(dimethylamino)ethyl)-3-((4-((4-(3-(3-isoprop...)
Show SMILES COc1ccc(cc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)C)c3ccccc23)n1)C(=O)NCCN(C)C
Show InChI InChI=1S/C40H43N9O4/c1-25(2)32-24-36(49(47-32)28-14-11-26(3)12-15-28)45-40(51)44-31-16-18-34(30-10-8-7-9-29(30)31)53-37-19-20-42-39(46-37)43-33-23-27(13-17-35(33)52-6)38(50)41-21-22-48(4)5/h7-20,23-25H,21-22H2,1-6H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247085
PNG
(3-((4-((4-(3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(ccc3OC)C(=O)NCCN(C)C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H45N9O5/c1-41(2,3)35-25-36(50(48-35)27-13-15-28(53-6)16-14-27)46-40(52)45-31-17-19-33(30-11-9-8-10-29(30)31)55-37-20-21-43-39(47-37)44-32-24-26(12-18-34(32)54-7)38(51)42-22-23-49(4)5/h8-21,24-25H,22-23H2,1-7H3,(H,42,51)(H,43,44,47)(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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247085
PNG
(3-((4-((4-(3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(ccc3OC)C(=O)NCCN(C)C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C41H45N9O5/c1-41(2,3)35-25-36(50(48-35)27-13-15-28(53-6)16-14-27)46-40(52)45-31-17-19-33(30-11-9-8-10-29(30)31)55-37-20-21-43-39(47-37)44-32-24-26(12-18-34(32)54-7)38(51)42-22-23-49(4)5/h8-21,24-25H,22-23H2,1-7H3,(H,42,51)(H,43,44,47)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247086
PNG
(3-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1ccc(cc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)C)c3ccccc23)n1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H45N9O5/c1-27(2)34-26-38(51(49-34)30-12-9-28(3)10-13-30)47-42(53)46-33-14-16-36(32-8-6-5-7-31(32)33)56-39-17-18-44-41(48-39)45-35-25-29(11-15-37(35)54-4)40(52)43-19-20-50-21-23-55-24-22-50/h5-18,25-27H,19-24H2,1-4H3,(H,43,52)(H,44,45,48)(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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247088
PNG
(N-(2-hydroxyethyl)-3-((4-((4-(3-(3-isopropyl-1-(p-...)
Show SMILES COc1ccc(cc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)C)c3ccccc23)n1)C(=O)NCCO
Show InChI InChI=1S/C38H38N8O5/c1-23(2)30-22-34(46(45-30)26-12-9-24(3)10-13-26)43-38(49)42-29-14-16-32(28-8-6-5-7-27(28)29)51-35-17-18-40-37(44-35)41-31-21-25(11-15-33(31)50-4)36(48)39-19-20-47/h5-18,21-23,47H,19-20H2,1-4H3,(H,39,48)(H,40,41,44)(H2,42,43,49)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247090
PNG
(N-(2-hydroxyethyl)-3-((4-((4-(3-(3-isopropyl-1-(4-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(ccc3OC)C(=O)NCCO)n2)c2ccccc12)C(C)C
Show InChI InChI=1S/C38H38N8O6/c1-23(2)30-22-34(46(45-30)25-10-12-26(50-3)13-11-25)43-38(49)42-29-14-16-32(28-8-6-5-7-27(28)29)52-35-17-18-40-37(44-35)41-31-21-24(9-15-33(31)51-4)36(48)39-19-20-47/h5-18,21-23,47H,19-20H2,1-4H3,(H,39,48)(H,40,41,44)(H2,42,43,49)
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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 test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determining the leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247091
PNG
(N-(2-(dimethylamino)ethyl)-4-((4-((4-(3-(3-isoprop...)
Show SMILES COc1cc(ccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)C)c3ccccc23)n1)C(=O)NCCN(C)C
Show InChI InChI=1S/C40H43N9O4/c1-25(2)33-24-36(49(47-33)28-14-11-26(3)12-15-28)45-40(51)44-31-17-18-34(30-10-8-7-9-29(30)31)53-37-19-20-42-39(46-37)43-32-16-13-27(23-35(32)52-6)38(50)41-21-22-48(4)5/h7-20,23-25H,21-22H2,1-6H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247091
PNG
(N-(2-(dimethylamino)ethyl)-4-((4-((4-(3-(3-isoprop...)
Show SMILES COc1cc(ccc1Nc1nccc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)C)c3ccccc23)n1)C(=O)NCCN(C)C
Show InChI InChI=1S/C40H43N9O4/c1-25(2)33-24-36(49(47-33)28-14-11-26(3)12-15-28)45-40(51)44-31-17-18-34(30-10-8-7-9-29(30)31)53-37-19-20-42-39(46-37)43-32-16-13-27(23-35(32)52-6)38(50)41-21-22-48(4)5/h7-20,23-25H,21-22H2,1-6H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRPF3 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247059
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cccc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C42H45N9O4/c1-28-12-14-31(15-13-28)51-37(27-36(49-51)42(2,3)4)47-41(53)46-34-16-17-35(33-11-6-5-10-32(33)34)55-38-18-19-44-40(48-38)45-30-9-7-8-29(26-30)39(52)43-20-21-50-22-24-54-25-23-50/h5-19,26-27H,20-25H2,1-4H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247061
PNG
(N-(2-(Dimethylamino)ethyl)-3-((4-((4-(3-(3-isoprop...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C40H43N9O4/c1-25(2)34-24-36(49(47-34)29-13-11-26(3)12-14-29)45-40(51)44-33-15-16-35(32-10-8-7-9-31(32)33)53-37-17-18-42-39(46-37)43-28-21-27(22-30(23-28)52-6)38(50)41-19-20-48(4)5/h7-18,21-25H,19-20H2,1-6H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247062
PNG
(N-(2-(Dimethylamino)ethyl)-3-((4-((4-(3-(3-isoprop...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN(C)C)n2)c2ccccc12)C(C)C
Show InChI InChI=1S/C40H43N9O5/c1-25(2)34-24-36(49(47-34)28-11-13-29(52-5)14-12-28)45-40(51)44-33-15-16-35(32-10-8-7-9-31(32)33)54-37-17-18-42-39(46-37)43-27-21-26(22-30(23-27)53-6)38(50)41-19-20-48(3)4/h7-18,21-25H,19-20H2,1-6H3,(H,41,50)(H,42,43,46)(H2,44,45,51)
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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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Bromodomain-containing protein 7


(Homo sapiens (Human))
BDBM50028142
PNG
(CHEMBL2177300)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human BRD7 by BROMOscan assay


J Med Chem 57: 8111-31 (2014)


Article DOI: 10.1021/jm5010539
BindingDB Entry DOI: 10.7270/Q23R0VGR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247129
PNG
(3-((6-(4-(3-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2cc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)ncn2)c(C)c1C)C(C)(C)C
Show InChI InChI=1S/C41H49N9O6/c1-26-27(2)34(13-12-33(26)46-40(52)47-37-23-35(41(3,4)5)48-50(37)30-8-10-31(53-6)11-9-30)56-38-24-36(43-25-44-38)45-29-20-28(21-32(22-29)54-7)39(51)42-14-15-49-16-18-55-19-17-49/h8-13,20-25H,14-19H2,1-7H3,(H,42,51)(H,43,44,45)(H2,46,47,52)
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n/an/a<1.30n/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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM247123
PNG
(3-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(c1)C(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C43H47N9O5/c1-28(2)37-27-39(52(49-37)32-12-10-29(3)11-13-32)47-43(54)46-36-14-15-38(35-9-7-6-8-34(35)36)57-40-16-17-44-42(48-40)45-31-24-30(25-33(26-31)55-5)41(53)50(4)18-19-51-20-22-56-23-21-51/h6-17,24-28H,18-23H2,1-5H3,(H,44,45,48)(H2,46,47,54)
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against Syk enzymes (Invitrogen), are evaluated in a similar fashion to that described herein...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247069
PNG
(5-((4-((4-(3-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(CC(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)cc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H47N9O5/c1-28(2)25-31-27-39(52(50-31)32-12-9-29(3)10-13-32)48-43(54)47-36-14-16-38(34-8-6-5-7-33(34)36)57-40-17-18-45-42(49-40)46-30-11-15-37(55-4)35(26-30)41(53)44-19-20-51-21-23-56-24-22-51/h5-18,26-28H,19-25H2,1-4H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247125
PNG
(5-((4-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1ccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H45N9O5/c1-27(2)35-26-38(51(49-35)30-12-9-28(3)10-13-30)47-42(53)46-34-14-16-37(32-8-6-5-7-31(32)34)56-39-17-18-44-41(48-39)45-29-11-15-36(54-4)33(25-29)40(52)43-19-20-50-21-23-55-24-22-50/h5-18,25-27H,19-24H2,1-4H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247126
PNG
(3-((6-((4-(3-(3-isopropyl-1-(p-tolyl)-1H-pyrazol-5...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)ncn2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H45N9O5/c1-27(2)36-24-39(51(49-36)31-11-9-28(3)10-12-31)48-42(53)47-35-13-14-37(34-8-6-5-7-33(34)35)56-40-25-38(44-26-45-40)46-30-21-29(22-32(23-30)54-4)41(52)43-15-16-50-17-19-55-20-18-50/h5-14,21-27H,15-20H2,1-4H3,(H,43,52)(H,44,45,46)(H2,47,48,53)
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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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247109
PNG
(3-((4-((4-(3-(3-(tert-butyl)-1-(4-methoxyphenyl)-1...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C43H47N9O6/c1-43(2,3)37-27-38(52(50-37)30-10-12-31(55-4)13-11-30)48-42(54)47-35-14-15-36(34-9-7-6-8-33(34)35)58-39-16-17-45-41(49-39)46-29-24-28(25-32(26-29)56-5)40(53)44-18-19-51-20-22-57-23-21-51/h6-17,24-27H,18-23H2,1-5H3,(H,44,53)(H,45,46,49)(H2,47,48,54)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM247099
PNG
(3-((4-((4-(3-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazo...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C41H45N9O4/c1-26-12-14-29(15-13-26)50-36(25-35(48-50)41(2,3)4)46-40(52)45-33-16-17-34(32-11-9-8-10-31(32)33)54-37-18-19-43-39(47-37)44-28-22-27(23-30(24-28)53-7)38(51)42-20-21-49(5)6/h8-19,22-25H,20-21H2,1-7H3,(H,42,51)(H,43,44,47)(H2,45,46,52)
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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 US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247104
PNG
(3-((4-((4-(3-(3-ethyl-1-(p-tolyl)-1H-pyrazol-5-yl)...)
Show SMILES CCc1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(c4)C(=O)NCCN4CCOCC4)n3)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C41H43N9O5/c1-4-29-26-37(50(48-29)31-11-9-27(2)10-12-31)46-41(52)45-35-13-14-36(34-8-6-5-7-33(34)35)55-38-15-16-43-40(47-38)44-30-23-28(24-32(25-30)53-3)39(51)42-17-18-49-19-21-54-22-20-49/h5-16,23-26H,4,17-22H2,1-3H3,(H,42,51)(H,43,44,47)(H2,45,46,52)
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US Patent
n/an/a 2n/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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247105
PNG
(3-((4-((4-(3-(3-cyclopropyl-1-(p-tolyl)-1H-pyrazol...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C4CC4)c4ccccc34)n2)cc(c1)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H43N9O5/c1-27-7-11-31(12-8-27)51-38(26-36(49-51)28-9-10-28)47-42(53)46-35-13-14-37(34-6-4-3-5-33(34)35)56-39-15-16-44-41(48-39)45-30-23-29(24-32(25-30)54-2)40(52)43-17-18-50-19-21-55-22-20-50/h3-8,11-16,23-26,28H,9-10,17-22H2,1-2H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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US Patent
n/an/a 2n/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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM247108
PNG
(3-((4-((4-(3-(3-isopropyl-1-(4-methoxyphenyl)-1H-p...)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(OC)cc(c3)C(=O)NCCN3CCOCC3)n2)c2ccccc12)C(C)C
Show InChI InChI=1S/C42H45N9O6/c1-27(2)36-26-38(51(49-36)30-9-11-31(54-3)12-10-30)47-42(53)46-35-13-14-37(34-8-6-5-7-33(34)35)57-39-15-16-44-41(48-39)45-29-23-28(24-32(25-29)55-4)40(52)43-17-18-50-19-21-56-22-20-50/h5-16,23-27H,17-22H2,1-4H3,(H,43,52)(H,44,45,48)(H2,46,47,53)
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US Patent
n/an/a 2n/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 leve...


US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
More data for this
Ligand-Target Pair
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