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BDBM29625 MLS000081576::SMR000043748::cid_662970

SMILES: Cc1cc(C)n2nc3nc4CCCCc4cc3c2n1

InChI Key: InChIKey=YECJAGMZPXEPPD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 29625   
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)
BDBM29625
PNG
(MLS000081576 | SMR000043748 | cid_662970)
Show SMILES Cc1cc(C)n2nc3nc4CCCCc4cc3c2n1
Show InChI InChI=1S/C15H16N4/c1-9-7-10(2)19-15(16-9)12-8-11-5-3-4-6-13(11)17-14(12)18-19/h7-8H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens)
BDBM29625
PNG
(MLS000081576 | SMR000043748 | cid_662970)
Show SMILES Cc1cc(C)n2nc3nc4CCCCc4cc3c2n1
Show InChI InChI=1S/C15H16N4/c1-9-7-10(2)19-15(16-9)12-8-11-5-3-4-6-13(11)17-14(12)18-19/h7-8H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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