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PubMed code 21958544

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356004
PNG
(CHEMBL1911339)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C24H23F2N3O2/c1-13-2-6-16-20(31-29-21(16)27-15-4-5-15)19(13)14-3-7-17-18(12-14)28-22(30)23(17)8-10-24(25,26)11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,27,29)(H,28,30)
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n/an/a 0.0600n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356003
PNG
(CHEMBL1911338)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C23H23N3O3/c1-13-2-6-16-20(29-26-21(16)24-15-4-5-15)19(13)14-3-7-17-18(12-14)25-22(27)23(17)8-10-28-11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,24,26)(H,25,27)
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n/an/a 0.160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356002
PNG
(CHEMBL1911337)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1
Show InChI InChI=1S/C21H21N3O2/c1-11-4-8-14-18(26-24-19(14)22-13-6-7-13)17(11)12-5-9-15-16(10-12)23-20(25)21(15,2)3/h4-5,8-10,13H,6-7H2,1-3H3,(H,22,24)(H,23,25)
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n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355999
PNG
(CHEMBL1911334)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C23H23N3O2/c1-13-4-8-16-20(28-26-21(16)24-15-6-7-15)19(13)14-5-9-17-18(12-14)25-22(27)23(17)10-2-3-11-23/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,24,26)(H,25,27)
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n/an/a 0.900n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356007
PNG
(CHEMBL1911342)
Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C21H19F2N3O2/c1-11-2-4-13-17(28-26-18(13)24)16(11)12-3-5-14-15(10-12)25-19(27)20(14)6-8-21(22,23)9-7-20/h2-5,10H,6-9H2,1H3,(H2,24,26)(H,25,27)
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n/an/a 1.20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356001
PNG
(CHEMBL1911336)
Show SMILES Clc1cc2c(NC(=O)C22CCCC2)cc1-c1cccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H20ClN3O2/c23-17-11-16-18(25-21(27)22(16)8-1-2-9-22)10-15(17)13-4-3-5-14-19(13)28-26-20(14)24-12-6-7-12/h3-5,10-12H,1-2,6-9H2,(H,24,26)(H,25,27)
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n/an/a 4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356006
PNG
(CHEMBL1911341)
Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C20H19N3O3/c1-11-2-4-13-17(26-23-18(13)21)16(11)12-3-5-14-15(10-12)22-19(24)20(14)6-8-25-9-7-20/h2-5,10H,6-9H2,1H3,(H2,21,23)(H,22,24)
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n/an/a 5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355989
PNG
(CHEMBL1911193 | US8772288, 53)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H22N4O/c1-13-5-6-16(20-23-14(2)25-26-20)11-17(13)15-7-8-18-19(12-15)24-21(27)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 7.40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 7.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355993
PNG
(CHEMBL1911197)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1nnc[nH]1
Show InChI InChI=1S/C21H20N4O/c1-13-4-5-15(19-22-12-23-25-19)10-16(13)14-6-7-17-18(11-14)24-20(26)21(17)8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,22,23,25)
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n/an/a 9n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356008
PNG
(CHEMBL1911344)
Show SMILES Cc1ccn2c(N)nnc2c1-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C19H19N5O/c1-11-6-9-24-16(22-23-18(24)20)15(11)12-4-5-13-14(10-12)21-17(25)19(13)7-2-3-8-19/h4-6,9-10H,2-3,7-8H2,1H3,(H2,20,23)(H,21,25)
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n/an/a 34n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356000
PNG
(CHEMBL1911335)
Show SMILES O=C1Nc2cc(ccc2C11CCCC1)-c1cccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H21N3O2/c26-21-22(10-1-2-11-22)17-9-6-13(12-18(17)24-21)15-4-3-5-16-19(15)27-25-20(16)23-14-7-8-14/h3-6,9,12,14H,1-2,7-8,10-11H2,(H,23,25)(H,24,26)
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n/an/a 38n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356005
PNG
(CHEMBL1911340)
Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1
Show InChI InChI=1S/C18H17N3O2/c1-9-4-6-11-15(23-21-16(11)19)14(9)10-5-7-12-13(8-10)20-17(22)18(12,2)3/h4-8H,1-3H3,(H2,19,21)(H,20,22)
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n/an/a 38n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355996
PNG
(CHEMBL1911331)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C2(C)C)c1
Show InChI InChI=1S/C20H20N4O/c1-11-5-6-14(18-21-12(2)23-24-18)9-15(11)13-7-8-16-17(10-13)22-19(25)20(16,3)4/h5-10H,1-4H3,(H,22,25)(H,21,23,24)
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n/an/a 87n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355994
PNG
(CHEMBL1911198)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1nnc([nH]1)C1CC1
Show InChI InChI=1S/C24H24N4O/c1-14-4-5-17(22-26-21(27-28-22)15-6-7-15)12-18(14)16-8-9-19-20(13-16)25-23(29)24(19)10-2-3-11-24/h4-5,8-9,12-13,15H,2-3,6-7,10-11H2,1H3,(H,25,29)(H,26,27,28)
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n/an/a 135n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355991
PNG
(CHEMBL1911195)
Show SMILES Cc1c[nH]c(n1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C23H23N3O2/c1-14-3-4-17(21-24-13-15(2)25-21)11-18(14)16-5-6-19-20(12-16)26-22(27)23(19)7-9-28-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 173n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355987
PNG
(CHEMBL1911191)
Show SMILES Cc1nc(no1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H21N3O2/c1-13-5-6-16(20-23-14(2)27-25-20)11-17(13)15-7-8-18-19(12-15)24-21(26)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,26)
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n/an/a 583n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355988
PNG
(CHEMBL1911192)
Show SMILES Cc1noc(n1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H21N3O2/c1-13-5-6-16(20-23-14(2)25-27-20)11-17(13)15-7-8-18-19(12-15)24-21(26)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,26)
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n/an/a 741n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355992
PNG
(CHEMBL1911196)
Show SMILES Cc1nc(c[nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C23H23N3O2/c1-14-3-4-17(21-13-24-15(2)25-21)11-18(14)16-5-6-19-20(12-16)26-22(27)23(19)7-9-28-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 880n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of cRaf


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human TrkA


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of 5-HT1B


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C19


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%