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BDBM43367

E3L002160
Internal ID: BDB002160
Activity data available Local docking-ready structure
Dock with Q00987
Structure
/e3_file/ligand_db/generated/BDB002160/BDB002160.sdf
Basic Properties
Compound ID
E3L002160
Internal ID
BDB002160
Molecular formula
C16H21N3O
Molecular weight
271.364000
Exact mass
271.168462
XLogP
3.3531
TPSA
38.1300
HBA / HBD
2 / 0
Rotatable bonds
0
Heavy atoms / rings
20 / 3
Activity summary
EC50 unknown 1291100.00000000 nM
1 activity record(s) imported
InChIKey
VOWBZMVBYGELAY-UHFFFAOYSA-N
SMILES
Cc1cc2ncn(C(=O)N3CCC(C)CC3)c2cc1C
Aliases
BDBM43367 (preferred) (5,6-Dimethyl-benzoimidazol-1-yl)-(4-methyl-piperidin-1-yl)-methanone (source_name) BDBM43367 (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:BDBM43367 medium
; target=E3 ubiquitin-protein ligase Mdm2
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM43367 Open - 10.7270/Q21J984Z
PubChem CID888939 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready Cc1cc2ncn(C(=O)N3CCC(C)CC3)c2cc1C keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB002160/BDB002160.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB002160/BDB002160.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB002160/BDB002160.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB002160/BDB002160.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB002160/BDB002160.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
E3 ubiquitin-protein ligase Mdm2
Q00987
E3 ligase component 		BindingDB:BDBM43367 EC50 1291100 nM Low DOI: 10.7270/Q21J984Z 1