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4 similar compounds to monomer 51395

Compile data set for download or QSAR
Wt: 322.3
BDBM31695
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Wt: 410.4
BDBM37544
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Wt: 408.4
BDBM56021
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Wt: 392.4
BDBM74590
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 31695,37544,56021,74590   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31695
PNG
(2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic aci...)
Show SMILES C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C18H18N4O2/c1-2-11-24-18(23)13(12-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h2-4,7-8,13H,1,5-6,9-11H2
PDB
MMDB

UniProtKB/SwissProt

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PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.023



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180TW
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))
BDBM37544
PNG
(1-[3-(1-cyano-2-isopropoxy-2-keto-ethyl)quinoxalin...)
Show SMILES CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C
Show InChI InChI=1S/C22H26N4O4/c1-4-29-21(27)15-9-11-26(12-10-15)20-19(16(13-23)22(28)30-14(2)3)24-17-7-5-6-8-18(17)25-20/h5-8,14-16H,4,9-12H2,1-3H3
PDB

KEGG

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UniChem

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PCBioAssay
n/an/a>8.00E+3n/an/an/an/an/an/a



Columbia University Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The mutation underlying Huntington's disease is an expansion of a polyglutamine tract in the N-terminus of the protein huntingtin (htt). Under no...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2SQ8XSH
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM74590
PNG
(2-cyano-2-[3-(4-methyl-1-piperidinyl)-2-quinoxalin...)
Show SMILES CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
Show InChI InChI=1S/C23H28N4O2/c1-16-11-13-27(14-12-16)22-21(25-19-9-5-6-10-20(19)26-22)18(15-24)23(28)29-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3
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n/an/an/an/a 1.45E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1


(Homo sapiens (Human))
BDBM31695
PNG
(2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic aci...)
Show SMILES C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C18H18N4O2/c1-2-11-24-18(23)13(12-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h2-4,7-8,13H,1,5-6,9-11H2
PDB
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PCBioAssay
n/an/a 9.99E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2MS3R62
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens (Human))
BDBM56021
PNG
(2-cyano-2-[3-(2,6-dimethyl-4-morpholinyl)-2-quinox...)
Show SMILES CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
Show InChI InChI=1S/C23H28N4O3/c1-15-13-27(14-16(2)29-15)22-21(25-19-10-6-7-11-20(19)26-22)18(12-24)23(28)30-17-8-4-3-5-9-17/h6-7,10-11,15-18H,3-5,8-9,13-14H2,1-2H3
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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Heat Shock 70kDa Protein 1


(Homo sapiens (Human))
BDBM31695
PNG
(2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic aci...)
Show SMILES C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C18H18N4O2/c1-2-11-24-18(23)13(12-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h2-4,7-8,13H,1,5-6,9-11H2
PDB
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UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2RF5SF5
More data for this
Ligand-Target Pair