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3 similar compounds to monomer 50431028

Compile data set for download or QSAR
Wt: 277.3
BDBM32146
Wt: 317.3
BDBM61520
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Wt: 277.3
BDBM50431029

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 32146,61520,50431029   
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))
BDBM32146
PNG
(3,5-bis(2-pyridinylmethylidene)-4-piperidinone | 3...)
Show SMILES O=C1C(CNCC1=Cc1ccccn1)=Cc1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2
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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)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 20n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/a 1.72E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens (Human))
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/a 800n/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)
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/a 1.72E+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/Q28C9TQN
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/a>4.97E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 6.70E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 660n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 500n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 20n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)


Article DOI: 10.1021/jm4002692
BindingDB Entry DOI: 10.7270/Q2SB473Z
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM61520
PNG
((2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8...)
Show SMILES CN1C2CCC1\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1
Show InChI InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-
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n/an/a 3.25E+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