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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 = 'BDBM29694'   
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)
BDBM29694
PNG
(3-keto-N-(2-pyridylmethyl)benzo[f]chromene-2-carbo...)
Show SMILES O=C(NCc1ccccn1)c1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C20H14N2O3/c23-19(22-12-14-6-3-4-10-21-14)17-11-16-15-7-2-1-5-13(15)8-9-18(16)25-20(17)24/h1-11H,12H2,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29694
PNG
(3-keto-N-(2-pyridylmethyl)benzo[f]chromene-2-carbo...)
Show SMILES O=C(NCc1ccccn1)c1cc2c(ccc3ccccc23)oc1=O
Show InChI InChI=1S/C20H14N2O3/c23-19(22-12-14-6-3-4-10-21-14)17-11-16-15-7-2-1-5-13(15)8-9-18(16)25-20(17)24/h1-11H,12H2,(H,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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