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BDBM29669 MLS000585896::N-(2-oxidanylidenebenzo[g][1,3]benzoxathiol-5-yl)-N-(phenylsulfonyl)pyridine-3-carboxamide::N-(2-oxonaphtho[2,1-d][1,3]oxathiol-5-yl)-N-(phenylsulfonyl)nicotinamide::N-(benzenesulfonyl)-N-(2-oxo-5-benzo[g][1,3]benzoxathiolyl)-3-pyridinecarboxamide::N-(benzenesulfonyl)-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)pyridine-3-carboxamide::N-besyl-N-(2-ketobenzo[g][1,3]benzoxathiol-5-yl)nicotinamide::SMR000207677::cid_3980962

SMILES: O=C(N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1)c1cccnc1

InChI Key: InChIKey=USPUNEFTQYQCGR-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 29669   
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))
BDBM29669
PNG
(MLS000585896 | N-(2-oxidanylidenebenzo[g][1,3]benz...)
Show SMILES O=C(N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H14N2O5S2/c26-22(15-7-6-12-24-14-15)25(32(28,29)16-8-2-1-3-9-16)19-13-20-21(30-23(27)31-20)18-11-5-4-10-17(18)19/h1-14H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29669
PNG
(MLS000585896 | N-(2-oxidanylidenebenzo[g][1,3]benz...)
Show SMILES O=C(N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H14N2O5S2/c26-22(15-7-6-12-24-14-15)25(32(28,29)16-8-2-1-3-9-16)19-13-20-21(30-23(27)31-20)18-11-5-4-10-17(18)19/h1-14H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
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)


Article DOI: 10.1038/42506
BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29669
PNG
(MLS000585896 | N-(2-oxidanylidenebenzo[g][1,3]benz...)
Show SMILES O=C(N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H14N2O5S2/c26-22(15-7-6-12-24-14-15)25(32(28,29)16-8-2-1-3-9-16)19-13-20-21(30-23(27)31-20)18-11-5-4-10-17(18)19/h1-14H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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/Q25D8Q6Q
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29669
PNG
(MLS000585896 | N-(2-oxidanylidenebenzo[g][1,3]benz...)
Show SMILES O=C(N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H14N2O5S2/c26-22(15-7-6-12-24-14-15)25(32(28,29)16-8-2-1-3-9-16)19-13-20-21(30-23(27)31-20)18-11-5-4-10-17(18)19/h1-14H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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/Q2959FWK
More data for this
Ligand-Target Pair