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1,5-Dipyridin-3-ylpenta-1,4-dien-3-one

E3L002270
Internal ID: BDB002270
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002270/BDB002270.sdf
Basic Properties
Compound ID
E3L002270
Internal ID
BDB002270
Molecular formula
C15H12N2O
Molecular weight
236.274000
Exact mass
236.094963
XLogP
2.7723
TPSA
42.8500
HBA / HBD
3 / 0
Rotatable bonds
4
Heavy atoms / rings
18 / 2
Activity summary
EC50 unknown 290.00000000 nM
3 activity record(s) imported
InChIKey
UWILVEPRHIRCJK-UHFFFAOYSA-N
SMILES
O=C(C=Cc1cccnc1)C=Cc1cccnc1
Aliases
BDBM43477 (preferred) 1,5-Dipyridin-3-ylpenta-1,4-dien-3-one (source_name) BDBM43477 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q00987 MDM2
E3 ubiquitin-protein ligase Mdm2		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM43477 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43477 Open - 10.7270/Q21J984Z; 10.7270/Q2KW5DG0; 10.7270/Q2G73C3D
PubChem CID288321 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready O=C(C=Cc1cccnc1)C=Cc1cccnc1 keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002270/BDB002270.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002270/BDB002270.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002270/BDB002270.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002270/BDB002270.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002270/BDB002270.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43477 EC50 580 nM Moderate DOI: 10.7270/Q2KW5DG0 1
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43477 EC50 1859180 nM Low DOI: 10.7270/Q21J984Z 1
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43477 EC50 290 nM Moderate DOI: 10.7270/Q2G73C3D 1