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USPatent US8772288

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125994
PNG
(US8772288, 19)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H19N3O3/c1-12-4-5-14(19(25)23-18-8-9-27-24-18)10-15(12)13-6-7-16-17(11-13)22-20(26)21(16,2)3/h4-11H,1-3H3,(H,22,26)(H,23,24,25)
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US Patent
n/an/a 0.0400n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352566
PNG
(CHEMBL1825148 | US8772288, 23)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)Nc1ccon1
Show InChI InChI=1S/C23H21N3O4/c1-14-2-3-16(21(27)25-20-6-9-30-26-20)12-17(14)15-4-5-18-19(13-15)24-22(28)23(18)7-10-29-11-8-23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,28)(H,25,26,27)
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n/an/a 0.0600n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348312
PNG
(CHEMBL1800222 | US8772288, 12)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccon1
Show InChI InChI=1S/C23H21N3O3/c1-14-4-5-16(21(27)25-20-8-11-29-26-20)12-17(14)15-6-7-18-19(13-15)24-22(28)23(18)9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,28)(H,25,26,27)
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n/an/a 0.200n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352572
PNG
(CHEMBL1825157 | US8772288, 51)
Show SMILES Cc1ccc(cc1-c1cc2NC(=O)C3(CCCC3)c2cn1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-15-6-7-15)10-16(13)18-11-19-17(12-23-18)22(21(27)25-19)8-2-3-9-22/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,24,26)(H,25,27)
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n/an/a 0.800n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125996
PNG
(US8772288, 37)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(C)(O)CC2)c1)C(=O)NC1CC1 |(-4.1,1.56,;-2.77,2.33,;-2.77,3.87,;-1.44,4.64,;-.1,3.87,;-.1,2.33,;-1.44,1.56,;-1.44,.02,;-.1,-.75,;-.1,-2.29,;-1.44,-3.06,;-2.77,-2.29,;-3.91,-3.32,;-3.29,-4.73,;-4.06,-6.06,;-1.76,-4.57,;-2.16,-6.05,;-1.07,-7.14,;.42,-6.74,;.42,-8.28,;1.91,-7.14,;.82,-5.26,;-.27,-4.17,;-2.77,-.75,;1.23,4.64,;2.56,3.87,;1.23,6.18,;2.56,6.95,;4.1,6.95,;3.33,8.28,)|
Show InChI InChI=1S/C25H28N2O3/c1-15-3-4-17(22(28)26-18-6-7-18)13-19(15)16-5-8-20-21(14-16)27-23(29)25(20)11-9-24(2,30)10-12-25/h3-5,8,13-14,18,30H,6-7,9-12H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 0.800n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125997
PNG
(US8772288, 40)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(CC2)N2CCOCC2)c1)C(=O)NC1CC1 |(-4.77,3.67,;-3.44,4.44,;-3.44,5.98,;-2.1,6.75,;-.77,5.98,;-.77,4.44,;-2.1,3.67,;-2.1,2.13,;-.77,1.36,;-.77,-.18,;-2.1,-.95,;-3.44,-.18,;-4.58,-1.21,;-3.96,-2.61,;-4.73,-3.95,;-2.42,-2.45,;-2.82,-3.94,;-1.73,-5.03,;-.25,-4.63,;.15,-3.14,;-.94,-2.05,;.84,-5.72,;.44,-7.21,;1.53,-8.29,;3.02,-7.9,;3.42,-6.41,;2.33,-5.32,;-3.44,1.36,;.56,6.75,;.56,8.29,;1.9,5.98,;3.23,6.75,;4,8.09,;4.77,6.75,)|
Show InChI InChI=1S/C28H33N3O3/c1-18-2-3-20(26(32)29-21-5-6-21)16-23(18)19-4-7-24-25(17-19)30-27(33)28(24)10-8-22(9-11-28)31-12-14-34-15-13-31/h2-4,7,16-17,21-22H,5-6,8-15H2,1H3,(H,29,32)(H,30,33)
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n/an/a 1n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352569
PNG
(CHEMBL1825146 | US8772288, 31)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30)
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n/an/a 1n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348319
PNG
(CHEMBL1800916 | US8772288, 15)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H23FN2O2/c1-13-17(10-15(11-19(13)24)21(27)25-16-5-6-16)14-4-7-18-20(12-14)26-22(28)23(18)8-2-3-9-23/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3,(H,25,27)(H,26,28)
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US Patent
n/an/a 1.20n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348310
PNG
(CHEMBL1800911 | US8772288, 1)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N2O2/c1-14-4-5-16(21(26)24-17-7-8-17)12-18(14)15-6-9-19-20(13-15)25-22(27)23(19)10-2-3-11-23/h4-6,9,12-13,17H,2-3,7-8,10-11H2,1H3,(H,24,26)(H,25,27)
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US Patent
n/an/a 1.30n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125995
PNG
(US8772288, 34)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(O)CC2)c1)C(=O)NC1CC1 |(-4.1,1.33,;-2.77,2.1,;-2.77,3.64,;-1.44,4.41,;-.1,3.64,;-.1,2.1,;-1.44,1.33,;-1.44,-.21,;-.1,-.98,;-.1,-2.52,;-1.44,-3.29,;-2.77,-2.52,;-3.91,-3.55,;-3.29,-4.95,;-4.06,-6.29,;-1.76,-4.79,;-2.16,-6.28,;-1.07,-7.37,;.42,-6.97,;1.51,-8.06,;.82,-5.48,;-.27,-4.39,;-2.77,-.98,;1.23,4.41,;2.56,3.64,;1.23,5.95,;2.56,6.72,;4.1,6.72,;3.33,8.06,)|
Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)
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n/an/a 1.40n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348324
PNG
(CHEMBL1800910 | US8772288, 3)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N2O2/c1-13-3-4-15(20(25)23-16-6-7-16)11-17(13)14-5-8-18-19(12-14)24-21(26)22(18)9-2-10-22/h3-5,8,11-12,16H,2,6-7,9-10H2,1H3,(H,23,25)(H,24,26)
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US Patent
n/an/a 1.40n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352567
PNG
(CHEMBL1825147 | US8772288, 22)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N2O3/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)
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US Patent
n/an/a 1.40n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352574
PNG
(CHEMBL1825153 | US8772288, 32)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,27,29)(H,28,30)
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n/an/a 1.80n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50355997
PNG
(CHEMBL1911332 | US8772288, 63)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C23H22F2N4O/c1-13-3-4-16(20-26-14(2)28-29-20)11-17(13)15-5-6-18-19(12-15)27-21(30)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 2n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50355998
PNG
(CHEMBL1911333 | US8772288, 67)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)
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n/an/a 4.70n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352577
PNG
(CHEMBL1825145 | US8772288, 29)
Show SMILES CN1CCC2(CC1)C(=O)Nc1cc(ccc21)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N3O2/c1-15-3-4-17(22(28)25-18-6-7-18)13-19(15)16-5-8-20-21(14-16)26-23(29)24(20)9-11-27(2)12-10-24/h3-5,8,13-14,18H,6-7,9-12H2,1-2H3,(H,25,28)(H,26,29)
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n/an/a 5.20n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM126001
PNG
(US8772288, 72)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C23H21F2N3O2/c1-13-3-4-16(20-28-27-14(2)30-20)11-17(13)15-5-6-18-19(12-15)26-21(29)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,26,29)
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n/an/a 5.60n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352576
PNG
(CHEMBL1825156 | US8772288, 43)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)n1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)23-15-6-7-15)12-16(13)18-9-8-17-19(24-18)25-21(27)22(17)10-2-3-11-22/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,23,26)(H,24,25,27)
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n/an/a 5.60n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM126002
PNG
(US8772288, 73)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(O)CC2)c1 |(3.72,7.91,;2.95,6.58,;3.85,5.33,;2.95,4.09,;1.48,4.56,;1.48,6.1,;.15,3.79,;-1.18,4.56,;-2.52,3.79,;-2.52,2.25,;-3.85,1.48,;-1.18,1.48,;.15,2.25,;-1.18,-.06,;.15,-.83,;.15,-2.37,;-1.18,-3.14,;-2.52,-2.37,;-3.66,-3.4,;-3.04,-4.81,;-3.81,-6.14,;-1.51,-4.64,;-1.9,-6.13,;-.81,-7.22,;.67,-6.82,;1.76,-7.91,;1.07,-5.33,;-.02,-4.25,;-2.52,-.83,)|
Show InChI InChI=1S/C23H23N3O3/c1-13-3-4-16(21-26-25-14(2)29-21)11-18(13)15-5-6-19-20(12-15)24-22(28)23(19)9-7-17(27)8-10-23/h3-6,11-12,17,27H,7-10H2,1-2H3,(H,24,28)
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n/an/a 5.70n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348313
PNG
(CHEMBL1800221 | US8772288, 11)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-16-7-8-18(23(29)28-22-6-2-5-13-26-22)14-19(16)17-9-10-20-21(15-17)27-24(30)25(20)11-3-4-12-25/h2,5-10,13-15H,3-4,11-12H2,1H3,(H,27,30)(H,26,28,29)
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n/an/a 6.30n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352579
PNG
(CHEMBL1825150 | US8772288, 27)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCS(=O)(=O)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N2O4S/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-30(28,29)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)
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n/an/a 6.70n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50355989
PNG
(CHEMBL1911193 | US8772288, 53)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H22N4O/c1-13-5-6-16(20-23-14(2)25-26-20)11-17(13)15-7-8-18-19(12-15)24-21(27)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 7.5n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125999
PNG
(US8772288, 61)
Show SMILES Cc1nnc([nH]1)-c1cc(F)c(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H21FN4O2/c1-12-16(9-15(10-18(12)23)20-24-13(2)26-27-20)14-3-4-17-19(11-14)25-21(28)22(17)5-7-29-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,25,28)(H,24,26,27)
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n/an/a 8n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM126000
PNG
(US8772288, 65)
Show SMILES Cc1nnc([nH]1)-c1cc(F)c(C)c(c1)-c1ccc2c(NC(=O)C22CCC(C)(O)CC2)c1 |(3.72,8.14,;2.95,6.8,;3.85,5.56,;2.95,4.31,;1.48,4.79,;1.48,6.33,;.15,4.02,;-1.18,4.79,;-2.52,4.02,;-3.85,4.79,;-2.52,2.48,;-3.85,1.71,;-1.18,1.71,;.15,2.48,;-1.18,.17,;.15,-.6,;.15,-2.14,;-1.18,-2.91,;-2.52,-2.14,;-3.66,-3.17,;-3.04,-4.58,;-3.81,-5.91,;-1.51,-4.42,;-1.9,-5.91,;-.81,-7,;.67,-6.6,;.67,-8.14,;2.01,-7.37,;1.07,-5.11,;-.02,-4.02,;-2.52,-.6,)|
Show InChI InChI=1S/C24H25FN4O2/c1-13-17(10-16(11-19(13)25)21-26-14(2)28-29-21)15-4-5-18-20(12-15)27-22(30)24(18)8-6-23(3,31)7-9-24/h4-5,10-12,31H,6-9H2,1-3H3,(H,27,30)(H,26,28,29)
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n/an/a 8n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348318
PNG
(CHEMBL1800917 | US8772288, 6)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(N)=O
Show InChI InChI=1S/C20H20N2O2/c1-12-4-5-14(18(21)23)10-15(12)13-6-7-16-17(11-13)22-19(24)20(16)8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H2,21,23)(H,22,24)
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n/an/a 8.5n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125998
PNG
(US8772288, 55)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1ncn[nH]1
Show InChI InChI=1S/C21H20N4O/c1-13-4-5-15(19-22-12-23-25-19)10-16(13)14-6-7-17-18(11-14)24-20(26)21(17)8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,22,23,25)
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n/an/a 9n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 10n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348314
PNG
(CHEMBL1800220 | US8772288, 8)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CCC1
Show InChI InChI=1S/C24H26N2O2/c1-15-7-8-17(22(27)25-18-5-4-6-18)13-19(15)16-9-10-20-21(14-16)26-23(28)24(20)11-2-3-12-24/h7-10,13-14,18H,2-6,11-12H2,1H3,(H,25,27)(H,26,28)
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n/an/a 10n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352580
PNG
(CHEMBL1825159 | US8772288, 47)
Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C22CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O3/c1-13-2-3-14(20(26)24-16-4-5-16)10-17(13)15-11-18-19(23-12-15)22(21(27)25-18)6-8-28-9-7-22/h2-3,10-12,16H,4-9H2,1H3,(H,24,26)(H,25,27)
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n/an/a 13n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50355995
PNG
(CHEMBL1909657 | US8772288, 54)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC2)c1
Show InChI InChI=1S/C21H20N4O/c1-12-4-5-15(19-22-13(2)24-25-19)10-16(12)14-6-7-17-18(11-14)23-20(26)21(17)8-3-9-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,22,24,25)
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n/an/a 18n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50348316
PNG
(CHEMBL1800919 | US8772288, 4)
Show SMILES CC(C)NC(=O)c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C23H26N2O2/c1-14(2)24-21(26)17-7-6-15(3)18(12-17)16-8-9-19-20(13-16)25-22(27)23(19)10-4-5-11-23/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,26)(H,25,27)
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n/an/a 20n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125993
PNG
(US8772288, 18)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(=O)NCC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-13-4-7-16(20(25)23-12-14-5-6-14)10-17(13)15-8-9-18-19(11-15)24-21(26)22(18,2)3/h4,7-11,14H,5-6,12H2,1-3H3,(H,23,25)(H,24,26)
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n/an/a 27n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50355986
PNG
(CHEMBL1911190 | US8772288, 70)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H21N3O2/c1-13-5-6-16(20-25-24-14(2)27-20)11-17(13)15-7-8-18-19(12-15)23-21(26)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
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n/an/a 32n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352581
PNG
(CHEMBL1825161 | US8772288, 45)
Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C2(C)C)c1)C(=O)NC1CC1
Show InChI InChI=1S/C20H21N3O2/c1-11-4-5-12(18(24)22-14-6-7-14)8-15(11)13-9-16-17(21-10-13)20(2,3)19(25)23-16/h4-5,8-10,14H,6-7H2,1-3H3,(H,22,24)(H,23,25)
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US Patent
n/an/a 62n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50352582
PNG
(CHEMBL1825162 | US8772288, 52)
Show SMILES Cc1ccc(cc1-c1ncc2c(NC(=O)C22CCCC2)n1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O2/c1-12-4-5-13(19(26)23-14-6-7-14)10-15(12)17-22-11-16-18(24-17)25-20(27)21(16)8-2-3-9-21/h4-5,10-11,14H,2-3,6-9H2,1H3,(H,23,26)(H,22,24,25,27)
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Patents
US Patent
n/an/a 72n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM125992
PNG
(US8772288, 7)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(N)=O
Show InChI InChI=1S/C18H18N2O2/c1-10-4-5-12(16(19)21)8-13(10)11-6-7-14-15(9-11)20-17(22)18(14,2)3/h4-9H,1-3H3,(H2,19,21)(H,20,22)
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UniChem

Similars
US Patent
n/an/a 80n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...

US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%