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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for UniProtKB: P04792   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat shock protein beta-1


(Homo sapiens (Human))
BDBM50263167
PNG
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-4'-carboxy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C29H32N4O2/c1-20-5-12-25(32-29(35)24-13-14-30-27(17-24)33-15-3-2-4-16-33)18-26(20)22-8-10-23(11-9-22)28(34)31-19-21-6-7-21/h5,8-14,17-18,21H,2-4,6-7,15-16,19H2,1H3,(H,31,34)(H,32,35)
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n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of HSP27 phosphorylation in IL1alpha-stimulated HLF cells


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Heat shock protein beta-1


(Homo sapiens (Human))
BDBM50263168
PNG
(CHEMBL476351 | N-[4'-(Cyclopropylmethyl-carbamoyl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCOCC2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O3/c1-19-2-9-24(31-28(34)23-10-11-29-26(16-23)32-12-14-35-15-13-32)17-25(19)21-5-7-22(8-6-21)27(33)30-18-20-3-4-20/h2,5-11,16-17,20H,3-4,12-15,18H2,1H3,(H,30,33)(H,31,34)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of HSP27 phosphorylation in IL1alpha-stimulated HLF cells


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Heat shock protein beta-1


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of HSP27 phosphorylation in IL1alpha-stimulated HLF cells


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Heat shock protein beta-1


(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 58n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of HSP27 phosphorylation in IL1alpha-stimulated HLF cells


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Heat shock protein beta-1


(Homo sapiens (Human))
BDBM50262865
PNG
(CHEMBL477583 | Furan-3-carboxylic acid [4'-(cyclop...)
Show SMILES Cc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H22N2O3/c1-15-2-9-20(25-23(27)19-10-11-28-14-19)12-21(15)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h2,5-12,14,16H,3-4,13H2,1H3,(H,24,26)(H,25,27)
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n/an/a 88n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of HSP27 phosphorylation in IL1alpha-stimulated HLF cells


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Heat shock protein beta-1


(Homo sapiens (Human))
BDBM15458
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN5O/c1-26-19-22-11-8-16(24-19)18-17(13-2-4-14(20)5-3-13)23-12-25(18)15-6-9-21-10-7-15/h2-5,8,11-12,15,21H,6-7,9-10H2,1H3
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of HSP27 phosphorylation in IL1alpha-stimulated HLF cells


Bioorg Med Chem Lett 18: 4433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.028
BindingDB Entry DOI: 10.7270/Q2JH3M0B
More data for this
Ligand-Target Pair
Heat shock protein beta-1


(Homo sapiens (Human))
BDBM50097558
PNG
(CHEMBL1935538 | NSC-751382)
Show SMILES CN(c1ccc(NC(=O)c2ccc3OCOc3c2)cc1OCc1cc(C)ccc1C)S(C)(=O)=O
Show InChI InChI=1S/C23H21N3O3/c1-3-29-18-11-9-17(10-12-18)19-13-14-24-21-20(19)22(27)26(23(28)25(21)2)15-16-7-5-4-6-8-16/h4-14H,3,15H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Genova

Curated by ChEMBL


Assay Description
Inhibition of HSP27 (unknown origin) by insulin aggregation assay


Bioorg Med Chem 23: 3215-20 (2015)


Article DOI: 10.1016/j.bmc.2015.04.070
BindingDB Entry DOI: 10.7270/Q24B332K
More data for this
Ligand-Target Pair