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8 similar compounds to monomer 50409990

Compile data set for download or QSAR
Wt: 358.7
BDBM15364
Wt: 330.7
BDBM15367
Wt: 342.7
BDBM50409988
Wt: 380.7
BDBM50409989
Wt: 300.7
BDBM50409992
Wt: 360.7
BDBM50409993
Wt: 369.8
BDBM50409994
Wt: 344.7
BDBM50409996

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 15364,15367,50409988,50409989,50409992,50409993,50409994,50409996   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM15364
PNG
(4-chloro-6-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5...)
Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H15ClN2O4/c1-9-17(10-2-3-15-16(6-10)25-5-4-24-15)18(21-20-9)11-7-12(19)14(23)8-13(11)22/h2-3,6-8,22-23H,4-5H2,1H3,(H,20,21)
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n/an/a 210n/an/an/an/a7.422



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...


J Med Chem 48: 4212-5 (2005)


Article DOI: 10.1021/jm050355z
BindingDB Entry DOI: 10.7270/Q2WQ0216
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM15367
PNG
(3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxypheny...)
Show SMILES COc1ccc(cc1)-c1c(C)[nH]nc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H15ClN2O3/c1-9-16(10-3-5-11(23-2)6-4-10)17(20-19-9)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,1-2H3,(H,19,20)
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n/an/a 150n/an/an/an/a7.422



Vernalis (R&D) Ltd



Assay Description
The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...


J Med Chem 48: 4212-5 (2005)


Article DOI: 10.1021/jm050355z
BindingDB Entry DOI: 10.7270/Q2WQ0216
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409988
PNG
(CHEMBL187678)
Show SMILES Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)ccc1O
Show InChI InChI=1S/C18H15ClN2O3/c1-10-17(11-2-5-15-16(8-11)24-7-6-23-15)18(21-20-10)13-9-12(19)3-4-14(13)22/h2-5,8-9,22H,6-7H2,1H3,(H,20,21)
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n/an/a 2.55E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409996
PNG
(CHEMBL191228)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H13ClN2O4/c18-12-6-10(13(21)7-14(12)22)17-11(8-19-20-17)9-1-2-15-16(5-9)24-4-3-23-15/h1-2,5-8,21-22H,3-4H2,(H,19,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409992
PNG
(CHEMBL364882)
Show SMILES Cc1[nH]nc(c1-c1ccccc1)-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-5-3-2-4-6-10)16(19-18-9)11-7-12(17)14(21)8-13(11)20/h2-8,20-21H,1H3,(H,18,19)
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n/an/a 1.65E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409993
PNG
(CHEMBL362576)
Show SMILES COc1ccc(cc1OC)-c1cn(C)nc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C18H17ClN2O4/c1-21-9-12(10-4-5-16(24-2)17(6-10)25-3)18(20-21)11-7-13(19)15(23)8-14(11)22/h4-9,22-23H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409994
PNG
(CHEMBL188495)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1cccc(OCCCC#N)c1
Show InChI InChI=1S/C19H16ClN3O3/c20-16-9-14(17(24)10-18(16)25)19-15(11-22-23-19)12-4-3-5-13(8-12)26-7-2-1-6-21/h3-5,8-11,24-25H,1-2,7H2,(H,22,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair
Heat Shock Protein 90 (Hsp90)


(Saccharomyces cerevisiae)
BDBM50409989
PNG
(CHEMBL361941)
Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1-c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H14ClFN2O2/c22-18-9-16(19(26)10-20(18)27)21-17(11-24-25-21)14-3-1-12(2-4-14)13-5-7-15(23)8-6-13/h1-11,26-27H,(H,24,25)
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n/an/a 1.55E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of yeast Hsp90 ATPase activity


Bioorg Med Chem Lett 15: 3338-43 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.046
BindingDB Entry DOI: 10.7270/Q22808T2
More data for this
Ligand-Target Pair