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BDBM29679 (E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl)-2-propenamide;hydrochloride::(E)-2-cyano-3-(5-methyl-2-furyl)-N-(5-quinolyl)acrylamide;hydrochloride::(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-yl-prop-2-enamide;hydrochloride::(E)-2-cyano-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide;hydrochloride::MLS000402164::SMR000263836::cid_15944735

SMILES: Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1

InChI Key: InChIKey=LLLUNVSIIMWQOM-JLHYYAGUSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 29679   
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 (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.74E+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)


Article DOI: 10.1038/42506
BindingDB Entry DOI: 10.7270/Q2T72FSX
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.74E+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
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.50E+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/Q2959FWK
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

Reactome pathway
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UniChem

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PCBioAssay
n/an/an/an/a 9.41E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2J67FCM
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.09E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DF6PNW
More data for this
Ligand-Target Pair
Runt-Related Transcription Factor 1 Isoform AML1C


(Homo sapiens (Human))
BDBM29679
PNG
((E)-2-cyano-3-(5-methyl-2-furanyl)-N-(5-quinolinyl...)
Show SMILES Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
Show InChI InChI=1S/C18H13N3O2/c1-12-7-8-14(23-12)10-13(11-19)18(22)21-17-6-2-5-16-15(17)4-3-9-20-16/h2-10H,1H3,(H,21,22)/b13-10+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.66E+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/Q25D8Q6Q
More data for this
Ligand-Target Pair