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5 similar compounds to monomer 50409992

Compile data set for download or QSAR
Wt: 330.7
BDBM15367
Wt: 314.7
BDBM57190
Purchase
Wt: 300.7
BDBM61405
Purchase
Wt: 380.7
BDBM50409989
Wt: 346.7
BDBM50409990

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 15367,57190,61405,50409989,50409990   
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))
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)
BDBM50409990
PNG
(CHEMBL190249)
Show SMILES COc1ccc(cc1OC)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O
Show InChI InChI=1S/C17H15ClN2O4/c1-23-15-4-3-9(5-16(15)24-2)11-8-19-20-17(11)10-6-12(18)14(22)7-13(10)21/h3-8,21-22H,1-2H3,(H,19,20)
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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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61405
PNG
((4E)-4-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(O)cc1O
Show InChI InChI=1S/C16H13ClN2O2/c1-9-15(10-2-4-11(17)5-3-10)16(19-18-9)13-7-6-12(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)
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n/an/a 3.44E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a 4.81E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a 5.40E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a 5.22E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a 4.83E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a 548n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a 607n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/a 1.34E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM57190
PNG
((6Z)-6-[4-(4-chlorophenyl)-5-methyl-1,2-dihydropyr...)
Show SMILES COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Show InChI InChI=1S/C17H15ClN2O2/c1-10-16(11-3-5-12(18)6-4-11)17(20-19-10)14-8-7-13(22-2)9-15(14)21/h3-9,21H,1-2H3,(H,19,20)
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n/an/an/an/a 9.86E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair