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N-(9-acetylcarbazol-3-yl)acetamide

E3L051968
Internal ID: BDB051968
Activity data available Local docking-ready structure
Dock with Q92793
Structure
/e3_file/ligand_db/generated/BDB051968/BDB051968.sdf
Basic Properties
Compound ID
E3L051968
Internal ID
BDB051968
Molecular formula
C16H14N2O2
Molecular weight
266.300000
Exact mass
266.105528
XLogP
3.4130
TPSA
51.1000
HBA / HBD
2 / 1
Rotatable bonds
1
Heavy atoms / rings
20 / 3
Activity summary
IC50 > 50000.00000000 nM
1 activity record(s) imported
InChIKey
ABSYTNMWGKZJHH-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc2c(c1)c1ccccc1n2C(C)=O
Aliases
BDBM50311842 (preferred) N-(9-acetylcarbazol-3-yl)acetamide (source_name) BDBM50311842 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
Q92793 CREBBP;CBP
CREB-binding protein		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50311842 medium
; target=CREB-binding protein
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50311842 Open - 10.1016/j.ejmech.2018.01.087 PMID: 29448139
PubChem CID3326945 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CC(=O)Nc1ccc2c(c1)c1ccccc1n2C(C)=O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB051968/BDB051968.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB051968/BDB051968.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB051968/BDB051968.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB051968/BDB051968.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB051968/BDB051968.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
CREB-binding protein
Q92793
E3 ligase component 		BindingDB:BDBM50311842 IC50 >50000 nM Low DOI: 10.1016/j.ejmech.2018.01.087
PMID: 29448139 		1