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Compile Data Set for Download or QSAR

Found 1046 hits with Last Name = 'murray' and Initial = 'pj'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045179
PNG
((R)-4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidi...)
Show SMILES COC(=O)N1CCN([C@@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl2N3O3/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14/h4-5,10,15H,2-3,6-9,11-13H2,1H3/t15-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens


Bioorg Med Chem Lett 2: 1275-1278 (1992)


Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50280147
PNG
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)
Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H25Cl2N3O3/c1-13(25)23-6-7-24(15(11-23)10-22-5-4-16(26)12-22)19(27)9-14-2-3-17(20)18(21)8-14/h2-3,8,15-16,26H,4-7,9-12H2,1H3/t15?,16-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens


Bioorg Med Chem Lett 2: 1275-1278 (1992)


Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142607
PNG
(US8933228, 14)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ncccc12)C(C)(C)C
Show InChI InChI=1S/C30H28N8O4/c1-30(2,3)23-16-24(38(37-23)17-7-9-18(41-4)10-8-17)34-28(39)33-20-11-12-21(25-19(20)6-5-14-31-25)42-22-13-15-32-27-26(22)35-29(40)36-27/h5-16H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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n/an/a 0.800n/an/an/an/an/an/a



Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM142602
PNG
(US8933228, 4)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ncccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H26N8O3/c1-29(2,3)22-16-23(37(36-22)17-8-5-4-6-9-17)33-27(38)32-19-11-12-20(24-18(19)10-7-14-30-24)40-21-13-15-31-26-25(21)34-28(39)35-26/h4-16H,1-3H3,(H2,32,33,38)(H2,31,34,35,39)
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Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50280145
PNG
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)
Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H29N3O5S/c1-15(24)22-9-10-23(17(13-22)12-21-8-7-18(25)14-21)20(26)11-16-3-5-19(6-4-16)29(2,27)28/h3-6,17-18,25H,7-14H2,1-2H3/t17?,18-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens


Bioorg Med Chem Lett 2: 1275-1278 (1992)


Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN
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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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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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))
BDBM142601
PNG
(US8933228, 3)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O3/c1-19-10-12-20(13-11-19)39-27(18-26(37-39)32(2,3)4)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)42-25-16-17-33-29-28(25)38(5)31(41)36-29/h6-18H,1-5H3,(H,33,36,41)(H2,34,35,40)
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Respivert, Ltd.

US Patent


Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


US Patent US8933228 (2015)


BindingDB Entry DOI: 10.7270/Q2RV0MDW
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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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))
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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

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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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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n/an/a<1n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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n/an/a<1n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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))
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
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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




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
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RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent




US Patent US9701670 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CP2
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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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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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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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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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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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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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))
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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UniProtKB/SwissProt

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PC cid
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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
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