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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'p38 MAPK/ MAPKAP kinases MK2'   
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
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235961
PNG
(US9365546, 284)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;3.23,-2.52,;4.77,-2.52,;5.33,-4.62,)|
Show InChI InChI=1S/C26H23ClF2N4O3/c1-14-12-31-20(19-7-8-30-25(32-19)26(3,4)35)11-21(14)33-15(2)9-22(23(27)24(33)34)36-13-16-5-6-17(28)10-18(16)29/h5-12,35H,13H2,1-4H3
PDB
MMDB

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n/an/a 6.40n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235961
PNG
(US9365546, 284)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;3.23,-2.52,;4.77,-2.52,;5.33,-4.62,)|
Show InChI InChI=1S/C26H23ClF2N4O3/c1-14-12-31-20(19-7-8-30-25(32-19)26(3,4)35)11-21(14)33-15(2)9-22(23(27)24(33)34)36-13-16-5-6-17(28)10-18(16)29/h5-12,35H,13H2,1-4H3
PDB
MMDB

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n/an/a 7.30n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235962
PNG
(US9365546, 285)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)C |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;5.33,-4.62,;3.23,-2.52,;4.77,-2.52,)|
Show InChI InChI=1S/C27H25ClF2N4O2/c1-15-13-32-21(20-8-9-31-26(33-20)27(3,4)5)12-22(15)34-16(2)10-23(24(28)25(34)35)36-14-17-6-7-18(29)11-19(17)30/h6-13H,14H2,1-5H3
PDB
MMDB

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n/an/a 18n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235962
PNG
(US9365546, 285)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)C |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;5.33,-4.62,;3.23,-2.52,;4.77,-2.52,)|
Show InChI InChI=1S/C27H25ClF2N4O2/c1-15-13-32-21(20-8-9-31-26(33-20)27(3,4)5)12-22(15)34-16(2)10-23(24(28)25(34)35)36-14-17-6-7-18(29)11-19(17)30/h6-13H,14H2,1-5H3
PDB
MMDB

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n/an/a 26n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235962
PNG
(US9365546, 285)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)C |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;5.33,-4.62,;3.23,-2.52,;4.77,-2.52,)|
Show InChI InChI=1S/C27H25ClF2N4O2/c1-15-13-32-21(20-8-9-31-26(33-20)27(3,4)5)12-22(15)34-16(2)10-23(24(28)25(34)35)36-14-17-6-7-18(29)11-19(17)30/h6-13H,14H2,1-5H3
PDB
MMDB

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n/an/a 121n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235961
PNG
(US9365546, 284)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;3.23,-2.52,;4.77,-2.52,;5.33,-4.62,)|
Show InChI InChI=1S/C26H23ClF2N4O3/c1-14-12-31-20(19-7-8-30-25(32-19)26(3,4)35)11-21(14)33-15(2)9-22(23(27)24(33)34)36-13-16-5-6-17(28)10-18(16)29/h5-12,35H,13H2,1-4H3
PDB
MMDB

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US Patent
n/an/a 138n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235961
PNG
(US9365546, 284)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)O |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;3.23,-2.52,;4.77,-2.52,;5.33,-4.62,)|
Show InChI InChI=1S/C26H23ClF2N4O3/c1-14-12-31-20(19-7-8-30-25(32-19)26(3,4)35)11-21(14)33-15(2)9-22(23(27)24(33)34)36-13-16-5-6-17(28)10-18(16)29/h5-12,35H,13H2,1-4H3
PDB
MMDB

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US Patent
n/an/a 144n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair
p38 MAPK/ MAPKAP kinases MK2


(Homo sapiens (Human))
BDBM235962
PNG
(US9365546, 285)
Show SMILES Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)C |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;5.33,-4.62,;3.23,-2.52,;4.77,-2.52,)|
Show InChI InChI=1S/C27H25ClF2N4O2/c1-15-13-32-21(20-8-9-31-26(33-20)27(3,4)5)12-22(15)34-16(2)10-23(24(28)25(34)35)36-14-17-6-7-18(29)11-19(17)30/h6-13H,14H2,1-5H3
PDB
MMDB

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US Patent
n/an/a 210n/an/an/an/a7.525



CONFLUENCE LIFE SCIENCES INC.

US Patent


Assay Description
Kinase reactions is carried out in a 384-well plate (Matrical, MP101-1-PP) in 20 mM HEPES pH 7.5, 10 mM MgCl2, 0.0005% Tween-20, 0.01% BSA, 1 mM DTT,...


US Patent US9365546 (2016)

More data for this
Ligand-Target Pair