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BDBM50211247 9-Amino-1-azabenzanthrone::9-amino-1-aza-benzo[de]anthracen-7-one::9-amino-7H-dibenzo[de,h]quinolin-7-one::CHEMBL246681

SMILES: Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13

InChI Key: InChIKey=SWTAISDIUOZWOE-UHFFFAOYSA-N

Data: 1 KI  6 IC50

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 = 50211247   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.86E+3n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by LB plot


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.69E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


Eur J Med Chem 46: 4970-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.002
BindingDB Entry DOI: 10.7270/Q20C4W5X
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE


Bioorg Med Chem Lett 17: 3765-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.015
BindingDB Entry DOI: 10.7270/Q28C9X2C
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE by Ellman's method


Eur J Med Chem 44: 2523-32 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.021
BindingDB Entry DOI: 10.7270/Q2Z89CFV
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50211247
PNG
(9-Amino-1-azabenzanthrone | 9-amino-1-aza-benzo[de...)
Show SMILES Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Show InChI InChI=1S/C16H10N2O/c17-10-4-5-11-13(8-10)16(19)12-3-1-2-9-6-7-18-15(11)14(9)12/h1-8H,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Guangxi Normal University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


Eur J Med Chem 46: 4970-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.002
BindingDB Entry DOI: 10.7270/Q20C4W5X
More data for this
Ligand-Target Pair