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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Runt-related transcription factor 1' and Ligand = 'BDBM29623'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Runt-related transcription factor 1


(Homo sapiens (Human))
BDBM29623
PNG
(1-(2-furanylmethyl)-2-imino-5-oxo-N-(phenylmethyl)...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19N5O3/c25-21-18(23(30)26-14-16-7-2-1-3-8-16)13-19-22(29(21)15-17-9-6-12-32-17)27-20-10-4-5-11-28(20)24(19)31/h1-13,25H,14-15H2,(H,26,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.66E+4n/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
Runt-related transcription factor 1


(Homo sapiens (Human))
BDBM29623
PNG
(1-(2-furanylmethyl)-2-imino-5-oxo-N-(phenylmethyl)...)
Show SMILES N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H19N5O3/c25-21-18(23(30)26-14-16-7-2-1-3-8-16)13-19-22(29(21)15-17-9-6-12-32-17)27-20-10-4-5-11-28(20)24(19)31/h1-13,25H,14-15H2,(H,26,30)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.66E+4n/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