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BDBM50318702 CHEMBL1084518::Ethyl 5-Amino-2-methyl-7,8-dihydro-6H-cyclopenta[b][1,8]-naphthyridine-3-carboxylate

SMILES: CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C

InChI Key: InChIKey=KEQYWVWFPKVEHO-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50318702   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.90E+4n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


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


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


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


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50318702
PNG
(CHEMBL1084518 | Ethyl 5-Amino-2-methyl-7,8-dihydro...)
Show SMILES CCOC(=O)c1cc2c(N)c3CCCc3nc2nc1C
Show InChI InChI=1S/C15H17N3O2/c1-3-20-15(19)10-7-11-13(16)9-5-4-6-12(9)18-14(11)17-8(10)2/h7H,3-6H2,1-2H3,(H2,16,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Universidad Autonoma de Madrid

Curated by ChEMBL


Assay Description
Inhibition of AChE in human erythrocytes by Ellman's method


J Med Chem 53: 5129-43 (2010)


Article DOI: 10.1021/jm901902w
BindingDB Entry DOI: 10.7270/Q25T3MFV
More data for this
Ligand-Target Pair