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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 = 'BDBM29619'   
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))
BDBM29619
PNG
(6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thi...)
Show SMILES CCC1(C)Cc2c(CS1)sc1[nH]c(=O)[nH]c(=O)c21
Show InChI InChI=1S/C12H14N2O2S2/c1-3-12(2)4-6-7(5-17-12)18-10-8(6)9(15)13-11(16)14-10/h3-5H2,1-2H3,(H2,13,14,15,16)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.51E+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))
BDBM29619
PNG
(6-ethyl-6-methyl-5,8-dihydro-1H-thiopyrano[2,3]thi...)
Show SMILES CCC1(C)Cc2c(CS1)sc1[nH]c(=O)[nH]c(=O)c21
Show InChI InChI=1S/C12H14N2O2S2/c1-3-12(2)4-6-7(5-17-12)18-10-8(6)9(15)13-11(16)14-10/h3-5H2,1-2H3,(H2,13,14,15,16)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.51E+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