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BDBM61161 5-bromanyl-N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide::MLS000564772::N-(3-besyl-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-5-bromo-2-furamide::N-[3-(benzenesulfonyl)-1-butyl-2-pyrrolo[3,2-b]quinoxalinyl]-5-bromo-2-furancarboxamide::N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-5-bromofuran-2-carboxamide::SMR000152022::cid_1564382

SMILES: CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=KDGFUSZPPZFVQQ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 61161   
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
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM61161
PNG
(5-bromanyl-N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,...)
Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H21BrN4O4S/c1-2-3-15-30-23-21(27-17-11-7-8-12-18(17)28-23)22(35(32,33)16-9-5-4-6-10-16)24(30)29-25(31)19-13-14-20(26)34-19/h4-14H,2-3,15H2,1H3,(H,29,31)
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PC sid
UniChem

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PCBioAssay
n/an/a 2.80E+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/Q2V986G8
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM61161
PNG
(5-bromanyl-N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,...)
Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H21BrN4O4S/c1-2-3-15-30-23-21(27-17-11-7-8-12-18(17)28-23)22(35(32,33)16-9-5-4-6-10-16)24(30)29-25(31)19-13-14-20(26)34-19/h4-14H,2-3,15H2,1H3,(H,29,31)
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n/an/an/an/a 4.90E+3n/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
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM61161
PNG
(5-bromanyl-N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,...)
Show SMILES CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H21BrN4O4S/c1-2-3-15-30-23-21(27-17-11-7-8-12-18(17)28-23)22(35(32,33)16-9-5-4-6-10-16)24(30)29-25(31)19-13-14-20(26)34-19/h4-14H,2-3,15H2,1H3,(H,29,31)
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PCBioAssay
n/an/a 1.06E+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/Q2BP0175
More data for this
Ligand-Target Pair