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7 similar compounds to monomer 47397

Compile data set for download or QSAR
Wt: 383.4
BDBM32249
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Wt: 361.4
BDBM44651
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Wt: 383.4
BDBM44562
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Wt: 375.5
BDBM67759
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Wt: 313.3
BDBM68363
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Wt: 452.5
BDBM67741
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Wt: 369.4
BDBM89234
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 32249,44651,44562,67759,68363,67741,89234   
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))
BDBM32249
PNG
(8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dime...)
Show SMILES Cn1c2nc(CN3CCc4ccccc4C3)n(CCCO)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O3/c1-22-18-17(19(27)23(2)20(22)28)25(9-5-11-26)16(21-18)13-24-10-8-14-6-3-4-7-15(14)12-24/h3-4,6-7,26H,5,8-13H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


Article DOI: 10.1038/sj.bjp.0702751
BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44562
PNG
(1,3-Dimethyl-8-morpholin-4-ylmethyl-7-phenethyl-3,...)
Show SMILES Cn1c2nc(CN3CCOCC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O3/c1-22-18-17(19(26)23(2)20(22)27)25(9-8-15-6-4-3-5-7-15)16(21-18)14-24-10-12-28-13-11-24/h3-7H,8-14H2,1-2H3
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n/an/an/an/a 1.68E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44651
PNG
(1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-...)
Show SMILES CCCCCn1c(CN2CCCCC2C)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H31N5O2/c1-5-6-8-12-24-15(13-23-11-9-7-10-14(23)2)20-17-16(24)18(25)22(4)19(26)21(17)3/h14H,5-13H2,1-4H3
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n/an/an/an/a 883n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67741
PNG
(7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-pipera...)
Show SMILES CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67759
PNG
(7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)me...)
Show SMILES CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


Article DOI: 10.1021/bi400740x
BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM89234
PNG
(7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amin...)
Show SMILES CCCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H27N5O2/c1-5-6-12-25-16(14-22(2)13-15-10-8-7-9-11-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h7-11H,5-6,12-14H2,1-4H3
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n/an/a 4.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q25B012X
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM67741
PNG
(7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-pipera...)
Show SMILES CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3
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n/an/a 5.23E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM67759
PNG
(7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)me...)
Show SMILES CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67741
PNG
(7-hexyl-1,3-dimethyl-8-[[4-(phenylmethyl)-1-pipera...)
Show SMILES CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C25H36N6O2/c1-4-5-6-10-13-31-21(26-23-22(31)24(32)28(3)25(33)27(23)2)19-30-16-14-29(15-17-30)18-20-11-8-7-9-12-20/h7-9,11-12H,4-6,10,13-19H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67759
PNG
(7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)me...)
Show SMILES CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H33N5O2/c1-5-6-7-8-12-25-16(14-24-11-9-10-15(2)13-24)21-18-17(25)19(26)23(4)20(27)22(18)3/h15H,5-14H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
Zinc finger protein GLI1


(Mus musculus)
BDBM89234
PNG
(7-butyl-1,3-dimethyl-8-[[methyl-(phenylmethyl)amin...)
Show SMILES CCCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C20H27N5O2/c1-5-6-12-25-16(14-22(2)13-15-10-8-7-9-11-15)21-18-17(25)19(26)24(4)20(27)23(18)3/h7-11H,5-6,12-14H2,1-4H3
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n/an/a 6.85E+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 (2012)


Article DOI: 10.1038/nchembio.1930
BindingDB Entry DOI: 10.7270/Q2862F26
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68363
PNG
(1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl...)
Show SMILES CN(Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)Cc1ccccc1
Show InChI InChI=1S/C16H19N5O2/c1-19(9-11-7-5-4-6-8-11)10-12-17-13-14(18-12)20(2)16(23)21(3)15(13)22/h4-8H,9-10H2,1-3H3,(H,17,18)
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair