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Compile Data Set for Download or QSAR

Found 752 hits Enz. Inhib. hit(s) with Target = 'p38 delta/gamma'   
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 13


(Homo sapiens (Human))		BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38delta (unknown origin)

Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38gamma (unknown origin)

Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38gamma (unknown origin)

Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of p38delta (unknown origin)

Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50314776
PNG
(CHEMBL1089865 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Show InChI InChI=1S/C24H20F2N4O2/c1-13-6-7-14(22(31)28-16-8-9-16)10-17(13)18-11-15-12-27-30(23(15)29(2)24(18)32)21-19(25)4-3-5-20(21)26/h3-7,10-12,16H,8-9H2,1-2H3,(H,28,31)
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 2.10E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38delta

J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM50314776
PNG
(CHEMBL1089865 | N-Cyclopropyl-3-(1-(2,6-difluoroph...)
Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O)C(=O)NC1CC1 |(1.2,-4.58,;-.13,-3.81,;-1.47,-4.58,;-2.8,-3.81,;-2.8,-2.27,;-1.47,-1.5,;-.14,-2.27,;1.2,-1.5,;2.53,-2.26,;3.86,-1.49,;5.33,-1.97,;6.23,-.72,;5.3,.54,;6.07,1.87,;7.56,1.95,;8.35,.6,;8.33,3.29,;7.49,4.58,;5.95,4.58,;5.29,3.22,;3.7,3.4,;3.86,.05,;2.53,.82,;2.53,2.36,;1.19,.04,;-.14,.81,;-4.14,-1.5,;-4.14,.04,;-5.47,-2.28,;-6.81,-1.51,;-8.35,-1.51,;-7.58,-.17,)|
Show InChI InChI=1S/C24H20F2N4O2/c1-13-6-7-14(22(31)28-16-8-9-16)10-17(13)18-11-15-12-27-30(23(15)29(2)24(18)32)21-19(25)4-3-5-20(21)26/h3-7,10-12,16H,8-9H2,1-2H3,(H,28,31)
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 3.50E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38gamma

J Med Chem 53: 2973-85 (2010)


Article DOI: 10.1021/jm100095x
BindingDB Entry DOI: 10.7270/Q2FX79MD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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 5.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant P38delta after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP

Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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 6.81E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of P38delta

Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>7.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of P38 gamma

Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420761
PNG
(CHEMBL2087507)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)
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n/an/a 0.640n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420769
PNG
(CHEMBL2087515)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)
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n/an/a 0.830n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420767
PNG
(CHEMBL2087513)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C23H18ClFN4O/c1-13-18(10-15(11-20(13)25)23(30)26-16-6-7-16)14-8-9-29-21(12-14)27-28-22(29)17-4-2-3-5-19(17)24/h2-5,8-12,16H,6-7H2,1H3,(H,26,30)
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n/an/a 1.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420746
PNG
(CHEMBL2087524)
Show SMILES CN(C)C(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29)
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n/an/a 1.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420763
PNG
(CHEMBL2087509)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27)
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n/an/a 1.90n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420756
PNG
(CHEMBL2087501)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
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n/an/a 2n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420758
PNG
(CHEMBL2087503)
Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26)
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n/an/a 3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420747
PNG
(CHEMBL2087526)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)O)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26)
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n/an/a 3.10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50296636
PNG
(4-chloro-N-cyclopropyl-3-(1-(4-fluorophenyl)-7-met...)
Show SMILES Cn1c2n(ncc2c(Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C23H19ClFN5O2/c1-29-21(31)11-19(17-12-26-30(23(17)29)16-7-3-14(25)4-8-16)28-20-10-13(2-9-18(20)24)22(32)27-15-5-6-15/h2-4,7-12,15,28H,5-6H2,1H3,(H,27,32)
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n/an/a 4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of p38delta

Bioorg Med Chem Lett 19: 4724-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.058
BindingDB Entry DOI: 10.7270/Q27S7NT0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM342101
PNG
(3-((4-((4-(3-(3-(tert-Butyl)-1-methyl-1H-pyrazol-5...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc(Nc3cc(cc(c3)C(=O)NCCN3CCOCC3)C#C)n2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C38H41N9O4/c1-6-25-21-26(35(48)39-15-16-47-17-19-50-20-18-47)23-27(22-25)41-36-40-14-13-34(44-36)51-31-12-11-30(28-9-7-8-10-29(28)31)42-37(49)43-33-24-32(38(2,3)4)45-46(33)5/h1,7-14,21-24H,15-20H2,2-5H3,(H,39,48)(H,40,41,44)(H2,42,43,49)
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n/an/a 5n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563647
PNG
(N-(4-{4-[3-(5-tert-Butyl-2- methyl-2H-pyrazol-3-yl...)
Show SMILES CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(nn3C)C(C)(C)C)c(F)c2)ccn1
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420740
PNG
(CHEMBL2087742)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(-7.31,-33.73,;-5.98,-32.96,;-5.98,-31.41,;-7.31,-30.64,;-4.65,-30.64,;-3.31,-31.41,;-3.31,-32.96,;-4.64,-33.73,;-4.64,-35.27,;-3.32,-36.03,;-1.98,-35.26,;-3.32,-37.58,;-4.66,-38.34,;-4.99,-39.84,;-6.52,-39.99,;-7.13,-38.59,;-5.99,-37.57,;-5.99,-36.03,;-7.32,-35.26,;-4.18,-41.14,;-4.91,-42.5,;-2.64,-41.09,;-3.42,-42.47,;-1.98,-30.63,;-1.99,-29.09,;-.64,-31.4,;.69,-30.62,;2.22,-30.62,;1.45,-29.29,)|
Show InChI InChI=1S/C21H21F3N4O/c1-10-13(7-11(8-14(10)22)19(29)25-12-5-6-12)16-15(23)9-28-18(17(16)24)26-27-20(28)21(2,3)4/h7-9,12H,5-6H2,1-4H3,(H,25,29)
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n/an/a 6.20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420766
PNG
(CHEMBL2087512)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C23H19ClN4O/c1-14-6-7-16(23(29)25-17-8-9-17)12-19(14)15-10-11-28-21(13-15)26-27-22(28)18-4-2-3-5-20(18)24/h2-7,10-13,17H,8-9H2,1H3,(H,25,29)
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n/an/a 6.30n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420749
PNG
(CHEMBL2087743)
Show SMILES CC(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(6.05,-42.79,;6.78,-41.43,;8.32,-41.38,;5.97,-40.13,;4.44,-40.28,;3.82,-38.87,;4.97,-37.85,;4.97,-36.32,;3.64,-35.55,;6.31,-35.56,;7.64,-36.32,;8.98,-35.55,;7.63,-37.86,;6.3,-38.63,;6.32,-34.02,;7.65,-33.25,;7.65,-31.7,;6.31,-30.93,;4.98,-31.7,;3.65,-30.93,;4.98,-33.25,;3.65,-34.02,;8.98,-30.92,;8.97,-29.38,;10.31,-31.69,;11.65,-30.91,;13.18,-30.91,;12.41,-29.58,)|
Show InChI InChI=1S/C20H19F3N4O/c1-9(2)18-25-26-19-17(23)16(15(22)8-27(18)19)13-6-11(7-14(21)10(13)3)20(28)24-12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,24,28)
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n/an/a 6.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420773
PNG
(CHEMBL2087505)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C20H19FN4O/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12-2-3-12/h6-10,12,15H,2-5H2,1H3,(H,22,26)
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n/an/a 6.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563618
PNG
(N-[4-[2-[2-[[5-tert-butyl-2-(p- tolyl)pyrazol-3- y...)
Show SMILES COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563649
PNG
(N-(4-{4-[3-(5-tert-Butyl-isoxazol- 3-yl)-ureido]-3...)
Show SMILES CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(on3)C(C)(C)C)c(F)c2)ccn1
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563619
PNG
(N-[4-[2-[2-[[5-tert-butyl-2-(p- tolyl)pyrazol-3- y...)
Show SMILES CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)s2)ccn1
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
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...)
Show SMILES CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(cc(c4)C(=O)NCCN4CCOCC4)C#C)n3)c3ccccc23)n(C)n1
Show InChI InChI=1S/C37H39N9O4/c1-5-25-20-26(35(47)38-14-15-46-16-18-49-19-17-46)22-27(21-25)40-36-39-13-12-34(43-36)50-32-11-10-30(28-8-6-7-9-29(28)32)41-37(48)42-33-23-31(24(2)3)44-45(33)4/h1,6-13,20-24H,14-19H2,2-4H3,(H,38,47)(H,39,40,43)(H2,41,42,48)
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n/an/a 9n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420744
PNG
(CHEMBL2087522)
Show SMILES COC(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23FN4O2/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)28-4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
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n/an/a 9.40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420750
PNG
(CHEMBL2087744)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C1CC1)C(=O)NC1CC1 |(17.06,-33.61,;18.39,-32.84,;18.39,-31.3,;17.06,-30.53,;19.72,-30.53,;21.06,-31.29,;21.06,-32.84,;19.73,-33.62,;19.73,-35.16,;21.05,-35.92,;22.39,-35.15,;21.04,-37.46,;19.71,-38.23,;19.38,-39.73,;17.85,-39.88,;17.23,-38.47,;18.38,-37.45,;18.38,-35.92,;17.05,-35.14,;20.19,-41.03,;20.24,-42.56,;21.54,-41.75,;22.39,-30.52,;22.38,-28.98,;23.73,-31.28,;25.06,-30.51,;26.59,-30.51,;25.82,-29.18,)|
Show InChI InChI=1S/C20H17F3N4O/c1-9-13(6-11(7-14(9)21)20(28)24-12-4-5-12)16-15(22)8-27-18(10-2-3-10)25-26-19(27)17(16)23/h6-8,10,12H,2-5H2,1H3,(H,24,28)
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n/an/a 10n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
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-(...)
Show SMILES COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C37H45N7O7/c1-37(2,3)32-24-33(44(4)43-32)41-36(45)40-30-11-12-31(29-10-8-7-9-28(29)30)51-34-13-14-38-35(42-34)39-25-21-26(47-6)23-27(22-25)50-20-19-49-18-17-48-16-15-46-5/h7-14,21-24H,15-20H2,1-6H3,(H,38,39,42)(H2,40,41,45)
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n/an/a 10n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM50605761
PNG
(CHEMBL5197888)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCC(CO)CC4)n3c2)c2ccccc12)C(C)(C)C |r|
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n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
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...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C39H44N8O6/c1-7-26-22-27(36(48)40-16-17-51-20-21-52-19-18-50-6)24-28(23-26)42-37-41-15-14-35(45-37)53-32-13-12-31(29-10-8-9-11-30(29)32)43-38(49)44-34-25-33(39(2,3)4)46-47(34)5/h1,8-15,22-25H,16-21H2,2-6H3,(H,40,48)(H,41,42,45)(H2,43,44,49)
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n/an/a 11n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563650
PNG
(N-(4-{4-[3-(3-tert-Butyl-isoxazol- 5-yl)-ureido]-3...)
Show SMILES CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(no3)C(C)(C)C)c(F)c2)ccn1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563612
PNG
(Cyclopropanecarboxylic acid [4- (2-{2-[3-(5-tert-b...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CC3)c2)s1)C(C)(C)C
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38alpha by Z'-LYTE assay

J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM334348
PNG
(1-(4-((2-((3-(2,5,8,11,14,17,20-Heptaoxadocosan-22...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)C)c4ccccc34)n2)cc(OC)c1
Show InChI InChI=1S/C50H63N7O11/c1-36(2)45-35-47(57(56-45)39-12-10-37(3)11-13-39)54-50(58)53-44-14-15-46(43-9-7-6-8-42(43)44)68-48-16-17-51-49(55-48)52-38-32-40(60-5)34-41(33-38)67-31-30-66-29-28-65-27-26-64-25-24-63-23-22-62-21-20-61-19-18-59-4/h6-17,32-36H,18-31H2,1-5H3,(H,51,52,55)(H2,53,54,58)
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US Patent
n/an/a 11n/an/an/an/an/an/a



RESPIVERT LIMITED; TOPIVERT PHARMA LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to that descri...

US Patent US9732063 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NGV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420760
PNG
(CHEMBL2087506)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420752
PNG
(CHEMBL2087746)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)N)C(=O)NC1CC1 |(3.97,.97,;5.3,1.74,;5.3,3.28,;3.97,4.05,;6.63,4.05,;7.97,3.29,;7.97,1.74,;6.63,.97,;6.63,-.57,;7.96,-1.33,;9.29,-.56,;7.95,-2.88,;6.62,-3.65,;6.29,-5.15,;4.76,-5.3,;4.14,-3.89,;5.29,-2.87,;5.29,-1.34,;3.96,-.56,;7.09,-6.45,;6.37,-7.8,;8.63,-6.4,;7.86,-7.77,;9.3,4.06,;9.29,5.6,;10.63,3.3,;11.96,4.07,;13.5,4.07,;12.73,5.4,)|
Show InChI InChI=1S/C20H20F3N5O/c1-9-12(6-10(7-13(9)21)18(29)25-11-4-5-11)15-14(22)8-28-17(16(15)23)26-27-19(28)20(2,3)24/h6-8,11H,4-5,24H2,1-3H3,(H,25,29)
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n/an/a 12n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
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...)
Show SMILES COCCOCCOCCNC(=O)c1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4C)C(C)C)c4ccccc34)n2)cc(c1)C#C
Show InChI InChI=1S/C38H42N8O6/c1-6-26-21-27(36(47)39-15-16-50-19-20-51-18-17-49-5)23-28(22-26)41-37-40-14-13-35(44-37)52-33-12-11-31(29-9-7-8-10-30(29)33)42-38(48)43-34-24-32(25(2)3)45-46(34)4/h1,7-14,21-25H,15-20H2,2-5H3,(H,39,47)(H,40,41,44)(H2,42,43,48)
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US Patent
n/an/a 13n/an/an/an/an/an/a



TOPIVERT PHARMA LIMITED; RESPIVERT LIMITED

US Patent


Assay Description
p38 MAPKγ: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashio...

US Patent US9771353 (2017)


BindingDB Entry DOI: 10.7270/Q2HQ4219
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420754
PNG
(CHEMBL2087499)
Show SMILES Cc1ccc(cc1-c1ccc2c(noc2c1)N1CCCCC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N3O2/c1-15-5-6-17(23(27)24-18-8-9-18)13-20(15)16-7-10-19-21(14-16)28-25-22(19)26-11-3-2-4-12-26/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420753
PNG
(CHEMBL2087747)
Show SMILES CN(C)C(C)(C)c1nnc2c(F)c(c(F)cn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 |(22.02,-8.75,;22.79,-7.42,;24.33,-7.42,;22.03,-6.1,;21.3,-7.45,;23.57,-6.05,;21.22,-4.8,;19.69,-4.95,;19.08,-3.54,;20.22,-2.52,;20.22,-.99,;18.89,-.21,;21.57,-.22,;22.89,-.98,;24.23,-.21,;22.89,-2.53,;21.55,-3.3,;21.57,1.32,;22.9,2.09,;22.9,3.64,;21.56,4.4,;20.24,3.63,;18.9,4.4,;20.23,2.09,;18.9,1.32,;24.23,4.41,;24.22,5.95,;25.57,3.65,;26.9,4.42,;28.44,4.42,;27.66,5.75,)|
Show InChI InChI=1S/C22H24F3N5O/c1-11-14(8-12(9-15(11)23)20(31)26-13-6-7-13)17-16(24)10-30-19(18(17)25)27-28-21(30)22(2,3)29(4)5/h8-10,13H,6-7H2,1-5H3,(H,26,31)
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n/an/a 15n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420743
PNG
(CHEMBL2087521)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)N)C(=O)NC1CC1
Show InChI InChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27)
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n/an/a 15.4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(Homo sapiens (Human))		BDBM50605756
PNG
(CHEMBL5184542)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc3nnc(N4CCCCC4)n3c2)c2ccccc12)C(C)(C)C |r|
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00115
BindingDB Entry DOI: 10.7270/Q2B280DT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420739
PNG
(CHEMBL2087500)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24N4O/c1-13-5-6-15(19(26)22-16-7-8-16)11-17(13)14-9-10-25-18(12-14)23-24-20(25)21(2,3)4/h5-6,9-12,16H,7-8H2,1-4H3,(H,22,26)
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n/an/a 16n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420774
PNG
(CHEMBL2087525)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)NS(C)(=O)=O)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN5O3S/c1-12-16(9-14(10-17(12)22)19(28)23-15-5-6-15)13-7-8-27-18(11-13)24-25-20(27)21(2,3)26-31(4,29)30/h7-11,15,26H,5-6H2,1-4H3,(H,23,28)
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n/an/a 17n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420771
PNG
(CHEMBL2087517)
Show SMILES COC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O2/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12(2)27-3/h6-10,12,15H,4-5H2,1-3H3,(H,22,26)
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n/an/a 18n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM563615
PNG
(Cyclobutanecarboxylic acid [4-(2- {2-[3-(5-tert-bu...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCc2ccnc(NC(=O)C3CCC3)c2)s1)C(C)(C)C
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US Patent
n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
ach of these analogs were checked for physical chemical characteristics based on molecular weight, Lipinski's Rule of 5, partition coefficient (l...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2FN19DP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 12


(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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n/an/a 19n/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
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420762
PNG
(CHEMBL2087508)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26)
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n/an/a 20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha

Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
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