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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 Isoform AML1C' and Ligand = 'BDBM29637'   
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 Isoform AML1C


(Homo sapiens)
BDBM29637
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dih...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(N)=S)c1=N
Show InChI InChI=1S/C18H21N5O2S/c1-3-25-9-5-8-22-14(19)12(15(20)26)10-13-17(22)21-16-11(2)6-4-7-23(16)18(13)24/h4,6-7,10,19H,3,5,8-9H2,1-2H3,(H2,20,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.88E+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 Isoform AML1C


(Homo sapiens)
BDBM29637
PNG
(1-(3-ethoxypropyl)-2-imino-10-methyl-5-oxo-1,5-dih...)
Show SMILES CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(N)=S)c1=N
Show InChI InChI=1S/C18H21N5O2S/c1-3-25-9-5-8-22-14(19)12(15(20)26)10-13-17(22)21-16-11(2)6-4-7-23(16)18(13)24/h4,6-7,10,19H,3,5,8-9H2,1-2H3,(H2,20,26)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.88E+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