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BDBM29663 MLS000573239::N-(1-benzyl-3-besyl-pyrrolo[3,2-b]quinoxalin-2-yl)propionamide::N-[1-(phenylmethyl)-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]propanamide::N-[1-benzyl-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]propanamide::N-[3-(benzenesulfonyl)-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]propanamide::N-[3-(benzenesulfonyl)-1-benzylpyrrolo[3,2-b]quinoxalin-2-yl]propanamide::SMR000194740::cid_1348924

SMILES: CCC(=O)Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=PCJFSQOYMRYINF-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 29663   
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29663
PNG
(MLS000573239 | N-(1-benzyl-3-besyl-pyrrolo[3,2-b]q...)
Show SMILES CCC(=O)Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H22N4O3S/c1-2-22(31)29-26-24(34(32,33)19-13-7-4-8-14-19)23-25(28-21-16-10-9-15-20(21)27-23)30(26)17-18-11-5-3-6-12-18/h3-16H,2,17H2,1H3,(H,29,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DV1H7P
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM29663
PNG
(MLS000573239 | N-(1-benzyl-3-besyl-pyrrolo[3,2-b]q...)
Show SMILES CCC(=O)Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H22N4O3S/c1-2-22(31)29-26-24(34(32,33)19-13-7-4-8-14-19)23-25(28-21-16-10-9-15-20(21)27-23)30(26)17-18-11-5-3-6-12-18/h3-16H,2,17H2,1H3,(H,29,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.73E+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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29663
PNG
(MLS000573239 | N-(1-benzyl-3-besyl-pyrrolo[3,2-b]q...)
Show SMILES CCC(=O)Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H22N4O3S/c1-2-22(31)29-26-24(34(32,33)19-13-7-4-8-14-19)23-25(28-21-16-10-9-15-20(21)27-23)30(26)17-18-11-5-3-6-12-18/h3-16H,2,17H2,1H3,(H,29,31)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+5n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair