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3 similar compounds to monomer 81915

Compile data set for download or QSAR
Wt: 285.3
BDBM81913
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Wt: 335.3
BDBM81912
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Wt: 377.4
BDBM81916

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 81913,81912,81916   
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 HSP 90-alpha


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
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MMDB

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Article
PubMed
n/an/a 0.300n/an/an/an/a7.4n/a



Bayer Healthcare,



Assay Description
To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...


Chem Biol Drug Des 74: 43-50 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00833.x
BindingDB Entry DOI: 10.7270/Q2KW5DJW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM81913
PNG
(Unsubstituted phenyl ring analog, 2)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)c(O)c1
Show InChI InChI=1S/C14H11N3O2S/c18-10-6-7-11(12(19)8-10)13-15-16-14(20)17(13)9-4-2-1-3-5-9/h1-8,18-19H,(H,16,20)
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Article
PubMed
n/an/a 0.5n/an/an/an/a7.4n/a



Bayer Healthcare,



Assay Description
To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...


Chem Biol Drug Des 74: 43-50 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00833.x
BindingDB Entry DOI: 10.7270/Q2KW5DJW
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM81916
PNG
(lspropyl analog, 5)
Show SMILES CC(C)c1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)cc1O
Show InChI InChI=1S/C21H19N3O2S/c1-12(2)15-10-16(19(26)11-18(15)25)20-22-23-21(27)24(20)17-9-5-7-13-6-3-4-8-14(13)17/h3-12,25-26H,1-2H3,(H,23,27)
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Article
PubMed
n/an/a 0.100n/an/an/an/a7.4n/a



Bayer Healthcare,



Assay Description
To assess the affinity of compounds binding to Hsp90, we measured their ability to compete with the binding of a fluorescent analog of GA (GM-Bodipy)...


Chem Biol Drug Des 74: 43-50 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00833.x
BindingDB Entry DOI: 10.7270/Q2KW5DJW
More data for this
Ligand-Target Pair
Heat-shock protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 25n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase 4 (PDK4)


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 280n/an/an/an/a7.525



University of Texas Southwestern Medical Center



Assay Description
To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/a 6.76E+3n/an/an/a7.515



University of Texas Southwestern Medical Center



Assay Description
The PDK2 or Hsp90 N-terminal domain protein was dialyzed against 1 liter of thedialysis buffer containing 50 mM Tris-Cl, pH 7.5, 50 mM KCl, 1 mM MgCl...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM81912
PNG
(DC23 | Resorcinol analog, 1)
Show SMILES Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)c1
Show InChI InChI=1S/C18H13N3O2S/c22-12-8-9-14(16(23)10-12)17-19-20-18(24)21(17)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,22-23H,(H,20,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.82E+3n/an/an/an/a7.525



University of Texas Southwestern Medical Center



Assay Description
To determine the IC50 for PDK inhibitors, a mixture containing 0.05-0.2 μM PDK, 6μM E1, with or without 0.5 μM of the PDC core E2/E3BP...


J Biol Chem 289: 4432-43 (2014)


Article DOI: 10.1074/jbc.M113.533885
BindingDB Entry DOI: 10.7270/Q2N58K7F
More data for this
Ligand-Target Pair