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PubMed code 17480064

Compile data set for download or QSAR
Found 53 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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30202
PNG
(Pyrrolopyridine, 33)
Show SMILES O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C24H24N4O2/c29-23(27-18-3-1-2-4-18)16-7-5-15(6-8-16)21-13-17(9-11-25-21)22-14-19-20(28-22)10-12-26-24(19)30/h5-9,11,13-14,18,28H,1-4,10,12H2,(H,26,30)(H,27,29)
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n/an/a 8n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30204
PNG
(Pyrrolopyridine, 35)
Show SMILES O=C(NCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C26H22N4O2/c31-25(29-16-17-4-2-1-3-5-17)19-8-6-18(7-9-19)23-14-20(10-12-27-23)24-15-21-22(30-24)11-13-28-26(21)32/h1-10,12,14-15,30H,11,13,16H2,(H,28,32)(H,29,31)
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n/an/a 8n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 8.5n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30201
PNG
(Pyrrolopyridine, 32)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C22H20N4O2/c27-21(25-16-5-6-16)14-3-1-13(2-4-14)19-11-15(7-9-23-19)20-12-17-18(26-20)8-10-24-22(17)28/h1-4,7,9,11-12,16,26H,5-6,8,10H2,(H,24,28)(H,25,27)
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n/an/a 15n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30203
PNG
(Pyrrolopyridine, 34)
Show SMILES O=C(NC1CCCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C25H26N4O2/c30-24(28-19-4-2-1-3-5-19)17-8-6-16(7-9-17)22-14-18(10-12-26-22)23-15-20-21(29-23)11-13-27-25(20)31/h6-10,12,14-15,19,29H,1-5,11,13H2,(H,27,31)(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30188
PNG
(Pyrrolopyridine, 19)
Show SMILES Oc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H15N3O2/c22-13-3-1-11(2-4-13)16-9-12(5-7-19-16)17-10-14-15(21-17)6-8-20-18(14)23/h1-5,7,9-10,21-22H,6,8H2,(H,20,23)
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n/an/a 21n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30200
PNG
(Pyrrolopyridine, 31)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H15N3O3/c23-18-14-10-17(22-15(14)6-8-21-18)13-5-7-20-16(9-13)11-1-3-12(4-2-11)19(24)25/h1-5,7,9-10,22H,6,8H2,(H,21,23)(H,24,25)
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n/an/a 22n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30187
PNG
(Pyrrolopyridine, 18)
Show SMILES Oc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H15N3O2/c22-13-3-1-2-11(8-13)16-9-12(4-6-19-16)17-10-14-15(21-17)5-7-20-18(14)23/h1-4,6,8-10,21-22H,5,7H2,(H,20,23)
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n/an/a 25n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30184
PNG
(Pyrrolopyridine, 15)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cc2ccccc2s1
Show InChI InChI=1S/C20H15N3OS/c24-20-14-11-16(23-15(14)6-8-22-20)12-5-7-21-17(9-12)19-10-13-3-1-2-4-18(13)25-19/h1-5,7,9-11,23H,6,8H2,(H,22,24)
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n/an/a 30n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30193
PNG
(Pyrrolopyridine, 24)
Show SMILES Fc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
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n/an/a 30n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30191
PNG
(Pyrrolopyridine, 22)
Show SMILES Clc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14ClN3O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 32n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30190
PNG
(Pyrrolopyridine, 21)
Show SMILES Clc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14ClN3O/c19-13-3-1-2-11(8-13)16-9-12(4-6-20-16)17-10-14-15(22-17)5-7-21-18(14)23/h1-4,6,8-10,22H,5,7H2,(H,21,23)
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n/an/a 37n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30199
PNG
(Pyrrolopyridine, 30)
Show SMILES Nc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H16N4O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8,19H2,(H,21,23)
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n/an/a 41n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30205
PNG
(Pyrrolopyridine, 36)
Show SMILES O=C(NCCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C27H24N4O2/c32-26(29-13-10-18-4-2-1-3-5-18)20-8-6-19(7-9-20)24-16-21(11-14-28-24)25-17-22-23(31-25)12-15-30-27(22)33/h1-9,11,14,16-17,31H,10,12-13,15H2,(H,29,32)(H,30,33)
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n/an/a 46n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30180
PNG
(Pyrrolopyridine, 11)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cccnc1
Show InChI InChI=1S/C17H14N4O/c22-17-13-9-16(21-14(13)4-7-20-17)11-3-6-19-15(8-11)12-2-1-5-18-10-12/h1-3,5-6,8-10,21H,4,7H2,(H,20,22)
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n/an/a 48n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30194
PNG
(Pyrrolopyridine, 25)
Show SMILES Fc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 50n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30197
PNG
(Pyrrolopyridine, 28)
Show SMILES CC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C20H17N3O2/c1-12(24)13-2-4-14(5-3-13)18-10-15(6-8-21-18)19-11-16-17(23-19)7-9-22-20(16)25/h2-6,8,10-11,23H,7,9H2,1H3,(H,22,25)
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n/an/a 51n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30183
PNG
(Pyrrolopyridine, 14)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H17N3O/c26-22-18-13-21(25-19(18)8-10-24-22)17-7-9-23-20(12-17)16-6-5-14-3-1-2-4-15(14)11-16/h1-7,9,11-13,25H,8,10H2,(H,24,26)
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n/an/a 52n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30198
PNG
(Pyrrolopyridine, 29)
Show SMILES COc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H17N3O2/c1-24-14-4-2-12(3-5-14)17-10-13(6-8-20-17)18-11-15-16(22-18)7-9-21-19(15)23/h2-6,8,10-11,22H,7,9H2,1H3,(H,21,23)
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n/an/a 55n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30206
PNG
(Pyrrolopyridine, 37)
Show SMILES CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C27H24N4O2/c1-31(17-18-5-3-2-4-6-18)27(33)20-9-7-19(8-10-20)24-15-21(11-13-28-24)25-16-22-23(30-25)12-14-29-26(22)32/h2-11,13,15-16,30H,12,14,17H2,1H3,(H,29,32)
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n/an/a 56n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30179
PNG
(Pyrrolopyridine, 10)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccncc1
Show InChI InChI=1S/C17H14N4O/c22-17-13-10-16(21-14(13)4-8-20-17)12-3-7-19-15(9-12)11-1-5-18-6-2-11/h1-3,5-7,9-10,21H,4,8H2,(H,20,22)
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n/an/a 56n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30196
PNG
(Pyrrolopyridine, 27)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H14N4O/c20-11-12-1-3-13(4-2-12)17-9-14(5-7-21-17)18-10-15-16(23-18)6-8-22-19(15)24/h1-5,7,9-10,23H,6,8H2,(H,22,24)
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n/an/a 62n/an/an/an/an/an/a



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 66n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30195
PNG
(Pyrrolopyridine, 26)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C19H14F3N3O/c20-19(21,22)13-3-1-11(2-4-13)16-9-12(5-7-23-16)17-10-14-15(25-17)6-8-24-18(14)26/h1-5,7,9-10,25H,6,8H2,(H,24,26)
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n/an/a 71n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30182
PNG
(Pyrrolopyridine, 13)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccsc1
Show InChI InChI=1S/C16H13N3OS/c20-16-12-8-15(19-13(12)2-5-18-16)10-1-4-17-14(7-10)11-3-6-21-9-11/h1,3-4,6-9,19H,2,5H2,(H,18,20)
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n/an/a 76n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 81n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30181
PNG
(Pyrrolopyridine, 12)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cncnc1
Show InChI InChI=1S/C16H13N5O/c22-16-12-6-15(21-13(12)2-4-20-16)10-1-3-19-14(5-10)11-7-17-9-18-8-11/h1,3,5-9,21H,2,4H2,(H,20,22)
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n/an/a 83n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 126n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 140n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 171n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 210n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 210n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30186
PNG
(Pyrrolopyridine, 17)
Show SMILES Oc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H15N3O2/c22-17-4-2-1-3-12(17)16-9-11(5-7-19-16)15-10-13-14(21-15)6-8-20-18(13)23/h1-5,7,9-10,21-22H,6,8H2,(H,20,23)
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n/an/a 410n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 500n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM30189
PNG
(Pyrrolopyridine, 20)
Show SMILES Clc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14ClN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 606n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM27388
PNG
(2-(2-chloropyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,...)
Show SMILES Clc1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C12H10ClN3O/c13-11-5-7(1-3-14-11)10-6-8-9(16-10)2-4-15-12(8)17/h1,3,5-6,16H,2,4H2,(H,15,17)
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n/an/a 608n/an/an/an/a7.530



Pfizer



Assay Description
The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 660n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 1.10E+3n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 4


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 3.44E+3n/an/an/an/a7.523



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 4.60E+3n/an/an/an/a7.523



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 5.77E+4n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ribosomal protein S6 kinase alpha 4


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 1.46E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 4


(Homo sapiens (Human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 1.48E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5


(Homo sapiens (Human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 4


(Homo sapiens (Human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)


Article DOI: 10.1021/jm0611004
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%