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Target
Runt-related transcription factor 1
Ligand
BDBM29664
Substrate
Venus-CBFbeta-SMMHC
Meas. Tech.
Identification of compounds inhibiting the binding between the RUNX1 Runt domain and CBFbeta-SMMHC via a time resolved fluorescence resonance energy transfer (TR-FRET) assay.
pH
7.4±n/a
Temperature
296.15±n/a K
IC50
68000±n/a nM
Citation
 PubChem, PC Identification of compounds inhibiting the binding between the RUNX1 Runt domain and CBFb-SMMHC via a time resolved fluorescence resonance energy transfer (TR-FRET) assay. PubChem Bioassay (2009)[AID]
Target
Name:
Runt-related transcription factor 1
Synonyms:
AML1 | Acute myeloid leukemia 1 protein | CBF-alpha-2 | CBFA2 | Core-binding factor subunit alpha-2 | Oncogene AML-1 | Polyomavirus enhancer-binding protein 2 alpha B subunit | RUNX1 | RUNX1_HUMAN | Runt-Related Transcription Factor 1 Isoform AML1C
Type:
Subunit of heterodimeric transcription factor
Mol. Mass.:
48750.25
Organism:
Homo sapiens (Human)
Description:
Q01196
Residue:
453
Sequence:
MRIPVDASTSRRFTPPSTALSPGKMSEALPLGAPDAGAALAGKLRSGDRSMVEVLADHPGELVRTDSPNFLCSVLPTHWRCNKTLPIAFKVVALGDVPDGTLVTVMAGNDENYSAELRNATAAMKNQVARFNDLRFVGRSGRGKSFTLTITVFTNPPQVATYHRAIKITVDGPREPRRHRQKLDDQTKPGSLSFSERLSELEQLRRTAMRVSPHHPAPTPNPRASLNHSTAFNPQPQSQMQDTRQIQPSPPWSYDQSYQYLGSIASPSVHPATPISPGRASGMTTLSAELSSRLSTAPDLTAFSDPRQFPALPSISDPRMHYPGAFTYSPTPVTSGIGIGMSAMGSATRYHTYLPPPYPGSSQAQGGPFQASSPSYHLYYGASAGSYQFSMVGGERSPPRILPPCTNASTGSALLNPSLPNQSDVVEAEGSHSNSPTNMAPSARLEEAVWRPY
  
Inhibitor
Name:
BDBM29664
Synonyms:
(E)-2-Cyano-3-[2-(3,5-dimethyl-phenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-acrylamide | (E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-N-(1,1-dioxo-3-thiolanyl)-2-propenamide | (E)-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide | (E)-2-cyano-N-(1,1-diketothiolan-3-yl)-3-[2-(3,5-dimethylphenoxy)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]acrylamide | (E)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-cyano-3-[2-(3,5-dimethylphenoxy)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide | MLS000580923 | SMR000220364 | cid_5917493
Type:
Small organic molecule
Emp. Form.:
C25H24N4O5S
Mol. Mass.:
492.547
SMILES:
Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)C(=O)NC2CCS(=O)(=O)C2)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Core-binding factor subunit beta isoform 2
Synonyms:
CBFB | CBFbeta | PEBB_HUMAN | Venus-CBFbeta-SMMHC | Venus-core-binding factor subunit beta-smooth muscle myosin heavy chain
Type:
Fluorescent fusion protein
Mol. Mass.:
21988.19
Organism:
Homo sapiens (Human)
Description:
Q13951-2
Residue:
187
Sequence:
MPRVVPDQRSKFENEEFFRKLSRECEIKYTGFRDRPHEERQARFQNACRDGRSEIAFVATGTNLSLQFFPASWQGEQRQTPSREYVDLEREAGKVYLKAPMILNGVCVIWKGWIDLQRLDGMGCLEFDEERAQQEDALAQQAFEEARRRTREFEDRDRSHREEMEARRQQDPSPGSNLGGGDDLKLR