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4 similar compounds to monomer 44651

Compile data set for download or QSAR
Wt: 355.4
BDBM47397
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Wt: 375.5
BDBM67759
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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 9 hits for monomerid = 47397,67759,67741,89234   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47397
PNG
(1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl...)
Show SMILES CCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H25N5O2/c1-5-11-24-15(13-21(2)12-14-9-7-6-8-10-14)20-17-16(24)18(25)23(4)19(26)22(17)3/h6-10H,5,11-13H2,1-4H3
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n/an/a 8.17E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb3005353
BindingDB Entry DOI: 10.7270/Q20863Q9
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
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
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
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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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
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