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Compile Data Set for Download or QSAR

Found 175 hits of ic50 data for polymerid = 6337   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342101
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5...)
PDB
MMDB

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n/an/a 5n/an/an/an/an/an/a



Celera





Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342110
PNG
(3-Ethynyl-5-((4-((4-(3-(3-isopropyl-1-methyl-1H-py...)
PDB
MMDB

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Celera





Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342102
PNG
(1-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5-yl)-3-(4-(...)
PDB
MMDB

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Celera





Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
PDB
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n/an/a 11n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342107
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5...)
PDB
MMDB

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Celera





Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342111
PNG
(3-Ethynyl-5-((4-((4-(3-(3-isopropyl-1-methyl-1H-py...)
PDB
MMDB

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Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142613
PNG
(US8933228, 29)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C1(C)CC1
Show InChI InChI=1S/C32H27N7O3/c1-19-7-9-20(10-8-19)39-27(17-26(38-39)32(2)14-15-32)36-31(41)35-23-11-12-24(22-6-4-3-5-21(22)23)42-25-13-16-33-30-29(25)34-18-28(40)37-30/h3-13,16-18H,14-15H2,1-2H3,(H,33,37,40)(H2,35,36,41)
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US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342108
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-ethyl-1H-pyrazol-5-...)
PDB
MMDB

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Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142622
PNG
(US8933228, 13)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C28H27Cl2N7O4/c1-28(2,3)20-14-21(37(35-20)15-6-8-16(40-5)9-7-15)33-26(38)32-17-10-11-18(23(30)22(17)29)41-19-12-13-31-25-24(19)36(4)27(39)34-25/h6-14H,1-5H3,(H,31,34,39)(H2,32,33,38)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142626
PNG
(US8933228, 18)
Show SMILES COc1cc(ccc1CO)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H31N7O5/c1-33(2,3)27-16-28(40(39-27)20-10-9-19(18-41)26(15-20)44-4)37-32(43)36-23-11-12-24(22-8-6-5-7-21(22)23)45-25-13-14-34-31-30(25)35-17-29(42)38-31/h5-17,41H,18H2,1-4H3,(H,34,38,42)(H2,36,37,43)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


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


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334336
PNG
(1-(4-((2-((3-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)...)
PDB
MMDB

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n/an/a 26n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334325
PNG
(1-(3-Isopropyl-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
PDB
MMDB

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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334319
PNG
(3-(4-((4-(3-(3-(tert-Butyl)-1-(6-methoxypyridin-3-...)
PDB
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142610
PNG
(US8933228, 26)
Show SMILES CNS(=O)(=O)Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H32N8O5S/c1-33(2,3)27-17-28(41(40-27)21-11-9-20(10-12-21)19-47(44,45)34-4)38-32(43)37-24-13-14-25(23-8-6-5-7-22(23)24)46-26-15-16-35-31-30(26)36-18-29(42)39-31/h5-18,34H,19H2,1-4H3,(H,35,39,42)(H2,37,38,43)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334345
PNG
(1-(4-((2-((3-(2,5,8,11-Tetraoxatridecan-13-yloxy)-...)
PDB
MMDB

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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 30n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of P38gamma


Bioorg Med Chem Lett 21: 7155-65 (2011)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334346
PNG
(1-(4-((2-((3-(2,5,8,11,14-Pentaoxahexadecan-16-ylo...)
PDB
MMDB

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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142627
PNG
(US8933228, 19)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c(Cl)c2Cl)n(n1)-c1ccc(CO)cc1
Show InChI InChI=1S/C28H25Cl2N7O4/c1-28(2,3)20-12-21(37(36-20)16-6-4-15(14-38)5-7-16)34-27(40)33-17-8-9-18(24(30)23(17)29)41-19-10-11-31-26-25(19)32-13-22(39)35-26/h4-13,38H,14H2,1-3H3,(H,31,35,39)(H2,33,34,40)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342103
PNG
(1-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5-yl)-3-(4-(...)
PDB
MMDB

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Celera





Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142614
PNG
(US8933228, 30)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C31H27N7O3/c1-18(2)24-16-27(38(37-24)20-10-8-19(3)9-11-20)35-31(40)34-23-12-13-25(22-7-5-4-6-21(22)23)41-26-14-15-32-30-29(26)33-17-28(39)36-30/h4-18H,1-3H3,(H,32,36,39)(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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142597
PNG
(US8933228, Ref 1)
Show SMILES COCC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)ccn1
Show InChI InChI=1S/C34H36N6O4/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)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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n/an/a 40n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142629
PNG
(US8933228, 21)
Show SMILES Cc1ccc(s1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H27N7O3S/c1-17-9-12-26(41-17)37-24(15-23(36-37)30(2,3)4)34-29(39)33-20-10-11-21(19-8-6-5-7-18(19)20)40-22-13-14-31-28-27(22)32-16-25(38)35-28/h5-16H,1-4H3,(H,31,35,38)(H2,33,34,39)
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US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142603
PNG
(US8933228, 5)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C31H27N7O3/c1-31(2,3)25-17-26(38(37-25)19-9-5-4-6-10-19)35-30(40)34-22-13-14-23(21-12-8-7-11-20(21)22)41-24-15-16-32-29-28(24)33-18-27(39)36-29/h4-18H,1-3H3,(H,32,36,39)(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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142628
PNG
(US8933228, 20)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(CO)nc1
Show InChI InChI=1S/C31H28N8O4/c1-31(2,3)25-14-26(39(38-25)19-9-8-18(17-40)33-15-19)36-30(42)35-22-10-11-23(21-7-5-4-6-20(21)22)43-24-12-13-32-29-28(24)34-16-27(41)37-29/h4-16,40H,17H2,1-3H3,(H,32,37,41)(H2,35,36,42)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142619
PNG
(US8933228, 10)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H31N7O4/c1-32(2,3)26-18-27(39(37-26)19-10-12-20(42-5)13-11-19)35-30(40)34-23-14-15-24(22-9-7-6-8-21(22)23)43-25-16-17-33-29-28(25)38(4)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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142624
PNG
(US8933228, 16)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(O)cc1
Show InChI InChI=1S/C31H27N7O4/c1-31(2,3)25-16-26(38(37-25)18-8-10-19(39)11-9-18)35-30(41)34-22-12-13-23(21-7-5-4-6-20(21)22)42-24-14-15-32-29-28(24)33-17-27(40)36-29/h4-17,39H,1-3H3,(H,32,36,40)(H2,34,35,41)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142615
PNG
(US8933228, 31)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H29N7O5S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(12-10-19)45(4,42)43)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)44-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142609
PNG
(US8933228, 22 | US8933228, 25)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O4/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(42-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)43-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334327
PNG
(3-(4-((4-(3-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-...)
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n/an/a 50n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334367
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50156163
PNG
(CHEMBL3780832)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCc2ccnc(NC(=O)CS(C)(=O)=O)c2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H36N6O5S/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)45-20-23-16-17-35-30(18-23)37-32(41)21-46(5,43)44/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)
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n/an/a 55n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line Sf 9 by using...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334329
PNG
(1-(3-Isopropyl-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-(...)
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))
BDBM342109
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5...)
PDB
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Celera





Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142600
PNG
(US8933228, 2)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccccc1
Show InChI InChI=1S/C30H27N7O3/c1-30(2,3)24-17-25(37(36-24)18-9-5-4-6-10-18)33-28(38)32-21-13-14-22(20-12-8-7-11-19(20)21)40-23-15-16-31-27-26(23)34-29(39)35-27/h4-17H,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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142604
PNG
(US8933228, 6)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3/c1-19-9-11-20(12-10-19)39-27(17-26(38-39)32(2,3)4)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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Assay Description
The enzyme inhibitory activity of test compounds was determined by fluorescence resonance energy transfer (FRET) using synthetic peptides labelled wi...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142617
PNG
(US8933228, 33)
Show SMILES CSc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H29N7O3S/c1-32(2,3)26-17-27(39(38-26)19-9-11-20(43-4)12-10-19)36-31(41)35-23-13-14-24(22-8-6-5-7-21(22)23)42-25-15-16-33-30-29(25)34-18-28(40)37-30/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142599
PNG
(US8933228, 1)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H29N7O3/c1-18-9-11-19(12-10-18)38-26(17-25(37-38)31(2,3)4)34-29(39)33-22-13-14-23(21-8-6-5-7-20(21)22)41-24-15-16-32-28-27(24)35-30(40)36-28/h5-17H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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US Patent


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


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334318
PNG
(S,S-Dimethyl-N-(4-((4-((4-(3-(3-(tert-butyl)-1-(6-...)
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142616
PNG
(US8933228, 32)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)c3ccccc23)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H25Cl2N7O3/c1-31(2,3)25-15-26(40(39-25)17-8-9-20(32)21(33)14-17)37-30(42)36-22-10-11-23(19-7-5-4-6-18(19)22)43-24-12-13-34-29-28(24)35-16-27(41)38-29/h4-16H,1-3H3,(H,34,38,41)(H2,36,37,42)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334378
PNG
(1-(3-(tert-Butyl)-1-(P-tolyl)-1H-pyrazol-5-yl)-3-(...)
PDB
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142606
PNG
(US8933228, 8)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)c(C)nc23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H31N7O3/c1-19-10-12-21(13-11-19)40-28(18-27(39-40)33(3,4)5)37-32(42)36-24-14-15-25(23-9-7-6-8-22(23)24)43-26-16-17-34-30-29(26)35-20(2)31(41)38-30/h6-18H,1-5H3,(H,34,38,41)(H2,36,37,42)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142605
PNG
(US8933228, 7)
Show SMILES Cc1nc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c4ccccc34)ccnc2[nH]c1=O
Show InChI InChI=1S/C32H29N7O3/c1-19-30(40)37-29-28(34-19)25(16-17-33-29)42-24-15-14-23(21-12-8-9-13-22(21)24)35-31(41)36-27-18-26(32(2,3)4)38-39(27)20-10-6-5-7-11-20/h5-18H,1-4H3,(H,33,37,40)(H2,35,36,41)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334334
PNG
(1-(4-((2-((3-(Cyclopropylsulfonyl)-5-methoxyphenyl...)
PDB
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n/an/a 102n/an/an/an/an/an/a



Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 102n/an/an/an/an/an/a



Sygnature Discovery Limited

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334360
PNG
(1-(3-(tert-Butyl)-1-(4-methoxyphenyl)-1H-pyrazol-5...)
PDB
MMDB

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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334338
PNG
(1-(4-((2-((3-(2-Hydroxyethyl)thio)-5-methoxyphenyl...)
PDB
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142618
PNG
(US8933228, 9)
Show SMILES COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H29N7O4/c1-31(2,3)25-17-26(38(37-25)18-9-11-19(41-4)12-10-18)34-29(39)33-22-13-14-23(21-8-6-5-7-20(21)22)42-24-15-16-32-28-27(24)35-30(40)36-28/h5-17H,1-4H3,(H2,33,34,39)(H2,32,35,36,40)
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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...


Citation and Details
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM142608
PNG
(US8933228, 24)
Show SMILES COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)n(C)c23)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H30N8O4/c1-31(2,3)24-16-25(39(37-24)18-10-13-26(42-5)33-17-18)35-29(40)34-21-11-12-22(20-9-7-6-8-19(20)21)43-23-14-15-32-28-27(23)38(4)30(41)36-28/h6-17H,1-5H3,(H,32,36,41)(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...


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12 (p38MAPgamma)


(Homo sapiens (Human))
BDBM334354
PNG
(1-(3-(tert-Butyl)-1-(6-methoxypyridin-3-yl)-1H-pyr...)
PDB
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Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)





J Med Chem 49: 7781-91 (2006)

More data for this
Ligand-Target Pair
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