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Compile Data Set for Download or QSAR

Found 225 hits of ic50 data for polymerid = 5183   
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))		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 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))		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 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))		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 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 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))		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 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))		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 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))		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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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 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))		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
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420751
PNG
(CHEMBL2087745)
Show SMILES Cc1c(F)cc(cc1-c1c(F)cn2c(nnc2c1F)-c1ccncc1Cl)C(=O)NC1CC1 |(-8.4,1.03,;-7.07,1.8,;-7.06,3.35,;-8.4,4.12,;-5.73,4.12,;-4.4,3.35,;-4.39,1.8,;-5.73,1.03,;-5.73,-.51,;-4.4,-1.27,;-3.07,-.5,;-4.41,-2.82,;-5.75,-3.59,;-6.08,-5.09,;-7.61,-5.24,;-8.22,-3.83,;-7.08,-2.81,;-7.08,-1.27,;-8.41,-.5,;-5.27,-6.39,;-3.74,-6.33,;-2.93,-7.63,;-3.65,-8.99,;-5.19,-9.04,;-6,-7.74,;-7.54,-7.78,;-3.07,4.13,;-3.07,5.67,;-1.73,3.37,;-.4,4.14,;1.14,4.14,;.37,5.47,)|
Show InChI InChI=1S/C22H15ClF3N5O/c1-10-14(6-11(7-16(10)24)22(32)28-12-2-3-12)18-17(25)9-31-20(29-30-21(31)19(18)26)13-4-5-27-8-15(13)23/h4-9,12H,2-3H2,1H3,(H,28,32)
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n/an/a 23n/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))		BDBM50420759
PNG
(CHEMBL2087504)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O/c1-12-2-3-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,21,25)
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n/an/a 26n/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))		BDBM50420757
PNG
(CHEMBL2087502)
Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25)
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n/an/a 27n/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))		BDBM192498
PNG
(US9187470, 89)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ncc(CCN2CCOCC2)s1)C(C)(C)C
Show InChI InChI=1S/C24H32N6O2S/c1-17-5-7-18(8-6-17)30-21(15-20(28-30)24(2,3)4)26-22(31)27-23-25-16-19(33-23)9-10-29-11-13-32-14-12-29/h5-8,15-16H,9-14H2,1-4H3,(H2,25,26,27,31)
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n/an/a 27.5n/an/an/an/an/a25



Washington University

US Patent


Assay Description
The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...

US Patent US9187470 (2015)


BindingDB Entry DOI: 10.7270/Q2N878M9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420765
PNG
(CHEMBL2087511)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23FN4O2/c1-13-18(10-16(11-19(13)23)22(28)24-17-2-3-17)15-4-7-27-20(12-15)25-26-21(27)14-5-8-29-9-6-14/h4,7,10-12,14,17H,2-3,5-6,8-9H2,1H3,(H,24,28)
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n/an/a 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))		BDBM50420768
PNG
(CHEMBL2087514)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H18ClN5O/c1-13-2-3-15(22(29)25-16-4-5-16)10-18(13)14-7-9-28-20(11-14)26-27-21(28)17-6-8-24-12-19(17)23/h2-3,6-12,16H,4-5H2,1H3,(H,25,29)
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n/an/a 38n/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))		BDBM50536679
PNG
(CHEMBL4568087)
Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged MAPK13 expressed in baculovirus expression system by Z'-LYTE assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420770
PNG
(CHEMBL2087516)
Show SMILES COC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H22N4O2/c1-12-4-5-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13(2)26-3/h4-5,8-11,13,16H,6-7H2,1-3H3,(H,21,25)
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n/an/a 43n/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))		BDBM50420748
PNG
(CHEMBL2087741)
Show SMILES Cc1ccc(cc1-c1c(F)cn2c(nnc2c1F)C(C)(C)C)C(=O)NC1CC1 |(17.76,-16.42,;19.09,-15.65,;19.09,-14.11,;20.42,-13.34,;21.76,-14.1,;21.76,-15.65,;20.42,-16.42,;20.42,-17.96,;21.75,-18.72,;23.08,-17.96,;21.74,-20.27,;20.41,-21.04,;20.08,-22.54,;18.55,-22.69,;17.93,-21.28,;19.08,-20.26,;19.08,-18.73,;17.75,-17.95,;20.88,-23.84,;20.16,-25.2,;22.42,-23.79,;21.65,-25.16,;23.09,-13.33,;23.08,-11.79,;24.42,-14.09,;25.75,-13.32,;27.29,-13.32,;26.52,-11.99,)|
Show InChI InChI=1S/C21H22F2N4O/c1-11-5-6-12(19(28)24-13-7-8-13)9-14(11)16-15(22)10-27-18(17(16)23)25-26-20(27)21(2,3)4/h5-6,9-10,13H,7-8H2,1-4H3,(H,24,28)
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n/an/a 49n/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))		BDBM50420764
PNG
(CHEMBL2087510)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N4O2/c1-14-2-3-17(22(27)23-18-4-5-18)12-19(14)16-6-9-26-20(13-16)24-25-21(26)15-7-10-28-11-8-15/h2-3,6,9,12-13,15,18H,4-5,7-8,10-11H2,1H3,(H,23,27)
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n/an/a 56n/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))		BDBM50305692
PNG
(3-tert-butyl-6-(2,4-difluorophenylthio)-[1,2,4]tri...)
Show SMILES CC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12
Show InChI InChI=1S/C16H15F2N3S/c1-16(2,3)15-20-19-14-7-5-11(9-21(14)15)22-13-6-4-10(17)8-12(13)18/h4-9H,1-3H3
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n/an/a 62n/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))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 81n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human p38delta using MBP as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50249406
PNG
(1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-(4-(py...)
Show SMILES Cn1nc(cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1)C(C)(C)C
Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)
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US Patent
n/an/a 82.7n/an/an/an/an/a25



Washington University

US Patent


Assay Description
The MAPK13 blocking activity of test compounds was determined using an immobilized metal affinity polarization (IMAP) assay containing activated MAPK...

US Patent US9187470 (2015)


BindingDB Entry DOI: 10.7270/Q2N878M9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50420741
PNG
(CHEMBL2087519)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(F)(F)F)C(=O)NC1CC1
Show InChI InChI=1S/C18H14F4N4O/c1-9-13(6-11(7-14(9)19)16(27)23-12-2-3-12)10-4-5-26-15(8-10)24-25-17(26)18(20,21)22/h4-8,12H,2-3H2,1H3,(H,23,27)
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n/an/a 85n/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))		BDBM50420742
PNG
(CHEMBL2087520)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(N)=O)C(=O)NC1CC1
Show InChI InChI=1S/C18H16FN5O2/c1-9-13(6-11(7-14(9)19)18(26)21-12-2-3-12)10-4-5-24-15(8-10)22-23-17(24)16(20)25/h4-8,12H,2-3H2,1H3,(H2,20,25)(H,21,26)
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n/an/a 102n/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))		BDBM50536681
PNG
(CHEMBL4552628)
Show SMILES Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
Show InChI InChI=1S/C18H18ClF2N5OS/c1-9-11(12-7-24-26-8-10(19)6-23-16(12)26)5-14(28-9)17(27)25-15-13(22)3-2-4-18(15,20)21/h5-8,13,15H,2-4,22H2,1H3,(H,25,27)/t13-,15-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant human His-tagged MAPK13 expressed in baculovirus expression system by Z'-LYTE assay

Bioorg Med Chem Lett 26: 4362-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human p38delta using MBP as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Homo sapiens (Human))		BDBM50563891
PNG
(CHEMBL4793380)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4NCCCOc34)cc2)no1
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n/an/a 214n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full length SAPK4 using myelin basic protein as substrate incubated for 40 mins in presence of [gamma33P]ATP by scint...

Citation and Details

Article DOI: 10.1016/j.ejmech.2017.09.018
BindingDB Entry DOI: 10.7270/Q270854P
More data for this
Ligand-Target Pair
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