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Compile Data Set for Download or QSAR

Found 161 hits with Last Name = 'coli' and Initial = 'r'   
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))
BDBM84796
PNG
(PF-00215924)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H14ClN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2/q-1/t16-/m0/s1
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n/an/a 1.80n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Inhibition of active p38a MAP kinase by inhibitors was determinedusing a p38a cascade activity assay. A 30-lL reaction mixture wasprepared containing...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323438
PNG
(4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)24-17-25(32-28(38)31-23-13-7-10-20-9-4-5-12-22(20)23)34(33-24)21-11-6-8-19(16-21)18-30-26(35)14-15-27(36)37/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
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n/an/a 5n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323438
PNG
(4-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C29H31N5O4/c1-29(2,3)24-17-25(32-28(38)31-23-13-7-10-20-9-4-5-12-22(20)23)34(33-24)21-11-6-8-19(16-21)18-30-26(35)14-15-27(36)37/h4-13,16-17H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84788
PNG
((9a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-11-14-22(17-25(20)29(40)41)28(39)36-32(5,43)33-19-21-12-15-24(16-13-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
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n/an/a 6n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323416
PNG
(2-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O3/c1-17(32)26-16-23(33)27-15-18-9-8-12-20(13-18)31-22(14-21(30-31)25(2,3)4)29-24(34)28-19-10-6-5-7-11-19/h5-14H,15-16H2,1-4H3,(H,26,32)(H,27,33)(H2,28,29,34)
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
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n/an/a 6.70n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84786
PNG
((10a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(C)(O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C32H35N6O5/c1-20-17-22(13-16-25(20)29(40)41)28(39)36-32(5,43)33-19-21-11-14-24(15-12-21)38-27(18-26(37-38)31(2,3)4)35-30(42)34-23-9-7-6-8-10-23/h6-18H,19H2,1-5H3,(H,40,41)(H2,34,35,42)(H2,33,36,39,43)
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n/an/a 7n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84782
PNG
((5a) BIRB796)
Show SMILES CC(=O)c1cc(ccc1C)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H35N5O3/c1-22-13-16-26(19-29(22)23(2)41)33(42)36-21-24-14-17-27(18-15-24)40-32(20-31(39-40)35(3,4)5)38-34(43)37-30-12-8-10-25-9-6-7-11-28(25)30/h6-20H,21H2,1-5H3,(H,36,42)(H2,37,38,43)
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n/an/a 8n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 8n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84785
PNG
((7a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-12-15-24(18-27(21)32(41)42)31(40)35-20-22-13-16-25(17-14-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-26(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84791
PNG
((11a) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H38N6O5/c1-21-12-15-23(18-26(21)30(41)42)29(40)37-33(5,6,44)34-20-22-13-16-25(17-14-22)39-28(19-27(38-39)32(2,3)4)36-31(43)35-24-10-8-7-9-11-24/h7-19H,20H2,1-6H3,(H,41,42)(H2,35,36,43)(H2,34,37,40,44)
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n/an/a 11n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM26514
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C27H37N7O2/c1-4-22-26(36)33(3)23-17-28-27(31-24(23)34(22)21-7-5-6-8-21)30-19-11-9-18(10-12-19)25(35)29-20-13-15-32(2)16-14-20/h9-12,17,20-22H,4-8,13-16H2,1-3H3,(H,29,35)(H,28,30,31)/t22-/m1/s1
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n/an/a 11.5n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 13.6n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323437
PNG
((1R)-6-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CC=CC[C@H]2C(O)=O)c1 |r,c:32|
Show InChI InChI=1S/C29H33N5O4/c1-29(2,3)24-17-25(32-28(38)31-20-11-5-4-6-12-20)34(33-24)21-13-9-10-19(16-21)18-30-26(35)22-14-7-8-15-23(22)27(36)37/h4-13,16-17,22-23H,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t22?,23-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323427
PNG
(CHEMBL1209482 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2ccccc2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23-17-24(31-27(37)30-21-11-5-4-6-12-21)34(32-23)22-13-9-10-20(16-22)18-29-25(35)19-33-15-8-7-14-26(33)36/h4-17H,18-19H2,1-3H3,(H,29,35)(H2,30,31,37)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM25121
PNG
(4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,...)
Show SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Show InChI InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
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n/an/a 16.8n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323420
PNG
(CHEMBL1209343 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccco2)c1
Show InChI InChI=1S/C28H30N6O4/c1-28(2,3)23-16-24(32-27(37)31-20-10-5-4-6-11-20)34(33-23)21-12-7-9-19(15-21)17-29-25(35)18-30-26(36)22-13-8-14-38-22/h4-16H,17-18H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,37)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84789
PNG
((9b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C38H45N7O6/c1-24-15-18-26(21-30(24)34(47)48)33(46)42-38(51,27-11-9-10-12-27)44-37(5,50)39-23-25-16-19-29(20-17-25)45-32(22-31(43-45)36(2,3)4)41-35(49)40-28-13-7-6-8-14-28/h6-8,13-22,27H,9-12,23H2,1-5H3,(H,47,48)(H2,40,41,49)(H3,39,42,44,46,50,51)
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n/an/a 22n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84784
PNG
((6a) BIRB796 | (8a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H33N5O4/c1-21-18-24(14-17-26(21)32(41)42)31(40)35-20-22-12-15-25(16-13-22)39-30(19-29(38-39)34(2,3)4)37-33(43)36-28-11-7-9-23-8-5-6-10-27(23)28/h5-19H,20H2,1-4H3,(H,35,40)(H,41,42)(H2,36,37,43)
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n/an/a 25n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84783
PNG
((5b) BIRB796)
Show SMILES CC(=O)c1cc(ccc1C)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C41H45N6O4/c1-26-17-20-30(23-34(26)27(2)48)38(49)45-41(51,31-13-7-8-14-31)42-25-28-18-21-32(22-19-28)47-37(24-36(46-47)40(3,4)5)44-39(50)43-35-16-10-12-29-11-6-9-15-33(29)35/h6,9-12,15-24,31H,7-8,13-14,25H2,1-5H3,(H2,43,44,50)(H2,42,45,49,51)
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n/an/a 26n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323431
PNG
(CHEMBL1209564 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES Cc1ccn(CC(=O)NCc2cccc(c2)-n2nc(cc2NC(=O)Nc2ccccc2)C(C)(C)C)n1
Show InChI InChI=1S/C27H31N7O2/c1-19-13-14-33(31-19)18-25(35)28-17-20-9-8-12-22(15-20)34-24(16-23(32-34)27(2,3)4)30-26(36)29-21-10-6-5-7-11-21/h5-16H,17-18H2,1-4H3,(H,28,35)(H2,29,30,36)
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n/an/a 27.9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323435
PNG
((1R)-2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2C[C@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C26H29N5O4/c1-26(2,3)21-14-22(29-25(35)28-17-9-5-4-6-10-17)31(30-21)18-11-7-8-16(12-18)15-27-23(32)19-13-20(19)24(33)34/h4-12,14,19-20H,13,15H2,1-3H3,(H,27,32)(H,33,34)(H2,28,29,35)/t19?,20-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323416
PNG
(2-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O3/c1-17(32)26-16-23(33)27-15-18-9-8-12-20(13-18)31-22(14-21(30-31)25(2,3)4)29-24(34)28-19-10-6-5-7-11-19/h5-14H,15-16H2,1-4H3,(H,26,32)(H,27,33)(H2,28,29,34)
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84792
PNG
((11b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H34N6O5/c1-23-12-15-25(19-29(23)34(45)46)33(44)41-18-8-9-26(22-41)32(43)37-21-24-13-16-28(17-14-24)42-31(20-30(40-42)36(2,3)4)39-35(47)38-27-10-6-5-7-11-27/h5-20,22H,21H2,1-4H3,(H3-,37,38,39,40,43,45,46,47)/p+1
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n/an/a 35n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84790
PNG
((7b) BIRB796)
Show SMILES Cc1ccc(cc1C(O)=O)C(=O)NC(O)(NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C1CCCC1
Show InChI InChI=1S/C40H43N6O5/c1-25-16-19-28(22-32(25)37(48)49)36(47)44-40(51,29-12-6-7-13-29)41-24-26-17-20-30(21-18-26)46-35(23-34(45-46)39(2,3)4)43-38(50)42-33-15-9-11-27-10-5-8-14-31(27)33/h5,8-11,14-23,29H,6-7,12-13,24H2,1-4H3,(H,48,49)(H2,42,43,50)(H2,41,44,47,51)
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n/an/a 36n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323433
PNG
(4-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C25H29N5O4/c1-25(2,3)20-15-21(28-24(34)27-18-9-5-4-6-10-18)30(29-20)19-11-7-8-17(14-19)16-26-22(31)12-13-23(32)33/h4-11,14-15H,12-13,16H2,1-3H3,(H,26,31)(H,32,33)(H2,27,28,34)
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323419
PNG
(CHEMBL1209342 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES Cc1cc(no1)C(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C28H31N7O4/c1-18-13-22(34-39-18)26(37)30-17-25(36)29-16-19-9-8-12-21(14-19)35-24(15-23(33-35)28(2,3)4)32-27(38)31-20-10-6-5-7-11-20/h5-15H,16-17H2,1-4H3,(H,29,36)(H,30,37)(H2,31,32,38)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323434
PNG
(4-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C27H33N5O4/c1-26(2,3)21-15-22(30-25(36)29-19-11-7-6-8-12-19)32(31-21)20-13-9-10-18(14-20)17-28-23(33)16-27(4,5)24(34)35/h6-15H,16-17H2,1-5H3,(H,28,33)(H,34,35)(H2,29,30,36)
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n/an/a 39n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323430
PNG
(CHEMBL1209563 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2cccn2)c1
Show InChI InChI=1S/C26H29N7O2/c1-26(2,3)22-16-23(30-25(35)29-20-10-5-4-6-11-20)33(31-22)21-12-7-9-19(15-21)17-27-24(34)18-32-14-8-13-28-32/h4-16H,17-18H2,1-3H3,(H,27,34)(H2,29,30,35)
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n/an/a 48.8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323418
PNG
(CHEMBL1209276 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2cccnc2)c1
Show InChI InChI=1S/C29H31N7O3/c1-29(2,3)24-16-25(34-28(39)33-22-11-5-4-6-12-22)36(35-24)23-13-7-9-20(15-23)17-31-26(37)19-32-27(38)21-10-8-14-30-18-21/h4-16,18H,17,19H2,1-3H3,(H,31,37)(H,32,38)(H2,33,34,39)
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n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84794
PNG
((12a) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)NC(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C33H38N6O5/c1-21-18-23(14-17-26(21)30(41)42)29(40)37-33(5,6,44)34-20-22-12-15-25(16-13-22)39-28(19-27(38-39)32(2,3)4)36-31(43)35-24-10-8-7-9-11-24/h7-19H,20H2,1-6H3,(H,41,42)(H2,35,36,43)(H2,34,37,40,44)
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n/an/a 53n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323436
PNG
((1R)-2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyra...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)C2CCCC[C@H]2C(O)=O)c1 |r|
Show InChI InChI=1S/C29H35N5O4/c1-29(2,3)24-17-25(32-28(38)31-20-11-5-4-6-12-20)34(33-24)21-13-9-10-19(16-21)18-30-26(35)22-14-7-8-15-23(22)27(36)37/h4-6,9-13,16-17,22-23H,7-8,14-15,18H2,1-3H3,(H,30,35)(H,36,37)(H2,31,32,38)/t22?,23-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84793
PNG
((12b) BIRB796)
Show SMILES Cc1cc(ccc1C(O)=O)C(=O)[n+]1cccc(c1)C(=O)NCc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C36H34N6O5/c1-23-19-25(14-17-29(23)34(45)46)33(44)41-18-8-9-26(22-41)32(43)37-21-24-12-15-28(16-13-24)42-31(20-30(40-42)36(2,3)4)39-35(47)38-27-10-6-5-7-11-27/h5-20,22H,21H2,1-4H3,(H3-,37,38,39,40,43,45,46,47)/p+1
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n/an/a 62n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323427
PNG
(CHEMBL1209482 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2ccccc2=O)c1
Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)23-17-24(31-27(37)30-21-11-5-4-6-12-21)34(32-23)22-13-9-10-20(16-22)18-29-25(35)19-33-15-8-7-14-26(33)36/h4-17H,18-19H2,1-3H3,(H,29,35)(H2,30,31,37)
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n/an/a 63n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323415
PNG
(CHEMBL1209273 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC=O)c1
Show InChI InChI=1S/C24H28N6O3/c1-24(2,3)20-13-21(28-23(33)27-18-9-5-4-6-10-18)30(29-20)19-11-7-8-17(12-19)14-26-22(32)15-25-16-31/h4-13,16H,14-15H2,1-3H3,(H,25,31)(H,26,32)(H2,27,28,33)
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n/an/a 68n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323425
PNG
(CHEMBL1209407 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CN2CCCC2=O)c1
Show InChI InChI=1S/C27H32N6O3/c1-27(2,3)22-16-23(30-26(36)29-20-10-5-4-6-11-20)33(31-22)21-12-7-9-19(15-21)17-28-24(34)18-32-14-8-13-25(32)35/h4-7,9-12,15-16H,8,13-14,17-18H2,1-3H3,(H,28,34)(H2,29,30,36)
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n/an/a 68n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323432
PNG
(CHEMBL1209565 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES Cc1cc(C)n(CC(=O)NCc2cccc(c2)-n2nc(cc2NC(=O)Nc2ccccc2)C(C)(C)C)n1
Show InChI InChI=1S/C28H33N7O2/c1-19-14-20(2)34(32-19)18-26(36)29-17-21-10-9-13-23(15-21)35-25(16-24(33-35)28(3,4)5)31-27(37)30-22-11-7-6-8-12-22/h6-16H,17-18H2,1-5H3,(H,29,36)(H2,30,31,37)
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n/an/a 78.2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323420
PNG
(CHEMBL1209343 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccco2)c1
Show InChI InChI=1S/C28H30N6O4/c1-28(2,3)23-16-24(32-27(37)31-20-10-5-4-6-11-20)34(33-23)21-12-7-9-19(15-21)17-29-25(35)18-30-26(36)22-13-8-14-38-22/h4-16H,17-18H2,1-3H3,(H,29,35)(H,30,36)(H2,31,32,37)
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n/an/a 88n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50255048
PNG
(3,4-Difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-[(5...)
Show SMILES OCc1ccc(o1)C(=O)NN=Cc1cc(C(O)=O)c(Nc2ccc(I)cc2F)c(F)c1F |w:11.12|
Show InChI InChI=1S/C20H13F3IN3O5/c21-13-6-10(24)1-3-14(13)26-18-12(20(30)31)5-9(16(22)17(18)23)7-25-27-19(29)15-4-2-11(8-28)32-15/h1-7,26,28H,8H2,(H,27,29)(H,30,31)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to SRC (unknown origin)


Bioorg Med Chem Lett 19: 226-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.108
BindingDB Entry DOI: 10.7270/Q22F7N98
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323423
PNG
(CHEMBL1209405 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNS(C)(=O)=O)c1
Show InChI InChI=1S/C24H30N6O4S/c1-24(2,3)20-14-21(28-23(32)27-18-10-6-5-7-11-18)30(29-20)19-12-8-9-17(13-19)15-25-22(31)16-26-35(4,33)34/h5-14,26H,15-16H2,1-4H3,(H,25,31)(H2,27,28,32)
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n/an/a 108n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM84796
PNG
(PF-00215924)
Show SMILES Clc1ccc(cc1)-c1c[nH]c(n1)-c1cc2ccccc2cn1
Show InChI InChI=1S/C18H14ClN3/c19-15-7-5-12(6-8-15)17-11-21-18(22-17)16-9-13-3-1-2-4-14(13)10-20-16/h1-8,10-11,16,20H,9H2/q-1/t16-/m0/s1
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n/an/a 110n/an/an/an/a7.525



Pfizer Inc.



Assay Description
Binding of inhibitors to unactivated p38a that leads to decreasedphosphorylation of p38alpha by MKK6 was determined by measuringthe activated p38alph...


Chem Biol Drug Des 74: 547-59 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00884.x
BindingDB Entry DOI: 10.7270/Q2930RPH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323429
PNG
(CHEMBL1209484 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES Cc1nccn1CC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C27H31N7O2/c1-19-28-13-14-33(19)18-25(35)29-17-20-9-8-12-22(15-20)34-24(16-23(32-34)27(2,3)4)31-26(36)30-21-10-6-5-7-11-21/h5-16H,17-18H2,1-4H3,(H,29,35)(H2,30,31,36)
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n/an/a 132n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323430
PNG
(CHEMBL1209563 | N-(3-(3-tert-butyl-5-(3-phenylurei...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)Cn2cccn2)c1
Show InChI InChI=1S/C26H29N7O2/c1-26(2,3)22-16-23(30-25(35)29-20-10-5-4-6-11-20)33(31-22)21-12-7-9-19(15-21)17-27-24(34)18-32-14-8-13-28-32/h4-16H,17-18H2,1-3H3,(H,27,34)(H2,29,30,35)
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n/an/a 135n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of active p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM26515
PNG
(1-[4-(cyclopentylamino)-2-{[2-methoxy-4-(4-methylp...)
Show SMILES COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O2/c1-16(30)19-15-24-23(27-22(19)25-17-6-4-5-7-17)26-20-9-8-18(14-21(20)31-3)29-12-10-28(2)11-13-29/h8-9,14-15,17H,4-7,10-13H2,1-3H3,(H2,24,25,26,27)
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n/an/a 145n/an/an/an/a7.522



Pfizer



Assay Description
Percent inhibition and IC50 values were determined with ATP concentrations at apparent Km using the Invitrogen SelectScreen Kinase Profiling Service ...


Chem Biol Drug Des 70: 540-6 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00594.x
BindingDB Entry DOI: 10.7270/Q2T151Z8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323421
PNG
(2-acetamido-N-(3-(3-tert-butyl-5-(3-phenylureido)-...)
Show SMILES CC(NC(C)=O)C(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C26H32N6O3/c1-17(28-18(2)33)24(34)27-16-19-10-9-13-21(14-19)32-23(15-22(31-32)26(3,4)5)30-25(35)29-20-11-7-6-8-12-20/h6-15,17H,16H2,1-5H3,(H,27,34)(H,28,33)(H2,29,30,35)
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n/an/a 168n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323417
PNG
(CHEMBL1209275 | N-(2-(3-(3-tert-butyl-5-(3-phenylu...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CNC(=O)c2ccccc2)c1
Show InChI InChI=1S/C30H32N6O3/c1-30(2,3)25-18-26(34-29(39)33-23-14-8-5-9-15-23)36(35-25)24-16-10-11-21(17-24)19-31-27(37)20-32-28(38)22-12-6-4-7-13-22/h4-18H,19-20H2,1-3H3,(H,31,37)(H,32,38)(H2,33,34,39)
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n/an/a 169n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323414
PNG
(CHEMBL1209214 | methyl 2-(3-(3-tert-butyl-5-(3-phe...)
Show SMILES COC(=O)NCC(=O)NCc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C25H30N6O4/c1-25(2,3)20-14-21(29-23(33)28-18-10-6-5-7-11-18)31(30-20)19-12-8-9-17(13-19)15-26-22(32)16-27-24(34)35-4/h5-14H,15-16H2,1-4H3,(H,26,32)(H,27,34)(H2,28,29,33)
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n/an/a 176n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50323413
PNG
(2-amino-N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-p...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccccc2)n(n1)-c1cccc(CNC(=O)CN)c1
Show InChI InChI=1S/C23H28N6O2/c1-23(2,3)19-13-20(27-22(31)26-17-9-5-4-6-10-17)29(28-19)18-11-7-8-16(12-18)15-25-21(30)14-24/h4-13H,14-15,24H2,1-3H3,(H,25,30)(H2,26,27,31)
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n/an/a 176n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of unactive p38alpha


Bioorg Med Chem Lett 20: 4885-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.073
BindingDB Entry DOI: 10.7270/Q2Z31ZT2
More data for this
Ligand-Target Pair
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