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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'kainoh' and Initial = 'm'   
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))
BDBM50387580
PNG
(CHEMBL2058051)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)cc(F)c1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C30H33F2N7O3/c1-19-5-7-22(8-6-19)39-25(17-24(37-39)30(2,3)4)35-29(40)34-18-20-15-21(31)16-23(32)27(20)42-26-9-10-33-28(36-26)38-11-13-41-14-12-38/h5-10,15-17H,11-14,18H2,1-4H3,(H2,34,35,40)
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n/an/a 3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387576
PNG
(CHEMBL2058047)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)ccc1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C30H34FN7O3/c1-20-5-8-23(9-6-20)38-26(18-25(36-38)30(2,3)4)34-29(39)33-19-21-17-22(31)7-10-24(21)41-27-11-12-32-28(35-27)37-13-15-40-16-14-37/h5-12,17-18H,13-16,19H2,1-4H3,(H2,33,34,39)
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n/an/a 4n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387577
PNG
(CHEMBL2058048)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(Cl)ccc1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C30H34ClN7O3/c1-20-5-8-23(9-6-20)38-26(18-25(36-38)30(2,3)4)34-29(39)33-19-21-17-22(31)7-10-24(21)41-27-11-12-32-28(35-27)37-13-15-40-16-14-37/h5-12,17-18H,13-16,19H2,1-4H3,(H2,33,34,39)
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n/an/a 5n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 10n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387581
PNG
(CHEMBL2058052)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)cc(Cl)c1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C30H33ClFN7O3/c1-19-5-7-22(8-6-19)39-25(17-24(37-39)30(2,3)4)35-29(40)34-18-20-15-21(32)16-23(31)27(20)42-26-9-10-33-28(36-26)38-11-13-41-14-12-38/h5-10,15-17H,11-14,18H2,1-4H3,(H2,34,35,40)
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n/an/a 11n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387574
PNG
(CHEMBL2058044)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1ccccc1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C30H35N7O3/c1-21-9-11-23(12-10-21)37-26(19-25(35-37)30(2,3)4)33-29(38)32-20-22-7-5-6-8-24(22)40-27-13-14-31-28(34-27)36-15-17-39-18-16-36/h5-14,19H,15-18,20H2,1-4H3,(H2,32,33,38)
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n/an/a 12n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387575
PNG
(CHEMBL2058045)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1ccccc1Oc1ccnc(n1)N1CCCCC1)C(C)(C)C
Show InChI InChI=1S/C31H37N7O2/c1-22-12-14-24(15-13-22)38-27(20-26(36-38)31(2,3)4)34-30(39)33-21-23-10-6-7-11-25(23)40-28-16-17-32-29(35-28)37-18-8-5-9-19-37/h6-7,10-17,20H,5,8-9,18-19,21H2,1-4H3,(H2,33,34,39)
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n/an/a 13n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387578
PNG
(CHEMBL2058049)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(C)ccc1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C31H37N7O3/c1-21-6-9-24(10-7-21)38-27(19-26(36-38)31(3,4)5)34-30(39)33-20-23-18-22(2)8-11-25(23)41-28-12-13-32-29(35-28)37-14-16-40-17-15-37/h6-13,18-19H,14-17,20H2,1-5H3,(H2,33,34,39)
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n/an/a 13n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387572
PNG
(CHEMBL2058053)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(F)cc(C)c1Oc1ccnc(n1)N1CCOCC1)C(C)(C)C
Show InChI InChI=1S/C31H36FN7O3/c1-20-6-8-24(9-7-20)39-26(18-25(37-39)31(3,4)5)35-30(40)34-19-22-17-23(32)16-21(2)28(22)42-27-10-11-33-29(36-27)38-12-14-41-15-13-38/h6-11,16-18H,12-15,19H2,1-5H3,(H2,34,35,40)
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n/an/a 14n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387571
PNG
(CHEMBL2058046)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1ccccc1Oc1ccnc(Cl)n1)C(C)(C)C
Show InChI InChI=1S/C26H27ClN6O2/c1-17-9-11-19(12-10-17)33-22(15-21(32-33)26(2,3)4)30-25(34)29-16-18-7-5-6-8-20(18)35-23-13-14-28-24(27)31-23/h5-15H,16H2,1-4H3,(H2,29,30,34)
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n/an/a 20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387579
PNG
(CHEMBL2058050)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1cc(ccc1Oc1ccnc(n1)N1CCOCC1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C31H34F3N7O3/c1-20-5-8-23(9-6-20)41-26(18-25(39-41)30(2,3)4)37-29(42)36-19-21-17-22(31(32,33)34)7-10-24(21)44-27-11-12-35-28(38-27)40-13-15-43-16-14-40/h5-12,17-18H,13-16,19H2,1-4H3,(H2,36,37,42)
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n/an/a 35n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50387573
PNG
(CHEMBL2058043)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)NCc1ccccc1O)C(C)(C)C
Show InChI InChI=1S/C22H26N4O2/c1-15-9-11-17(12-10-15)26-20(13-19(25-26)22(2,3)4)24-21(28)23-14-16-7-5-6-8-18(16)27/h5-13,27H,14H2,1-4H3,(H2,23,24,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant P38alpha-mediated ATF2 phosphorylation after 1 hr


Bioorg Med Chem Lett 22: 5118-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.095
BindingDB Entry DOI: 10.7270/Q2H41SH8
More data for this
Ligand-Target Pair