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BDBM50262342 11-Amino-3,3-dimethyl-12-pyridin-4-yl-3,4,5,7,8,9,10,12-octahydro-2H-dibenzo[b,g][1,8]naphthyridin-1-one::CHEMBL468002

SMILES: CC1(C)CC(=O)C2C(c3ccncc3)c3c(N)c4CCCCc4nc3N=C2C1

InChI Key: InChIKey=NEJAUGQGKHCLHV-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50262342   
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))
BDBM50262342
PNG
(11-Amino-3,3-dimethyl-12-pyridin-4-yl-3,4,5,7,8,9,...)
Show SMILES CC1(C)CC(=O)C2C(c3ccncc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C23H26N4O/c1-23(2)11-16-19(17(28)12-23)18(13-7-9-25-10-8-13)20-21(24)14-5-3-4-6-15(14)26-22(20)27-16/h7-10,18-19H,3-6,11-12H2,1-2H3,(H2,24,26)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
157n/an/an/an/an/an/an/an/a



CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Bioorg Med Chem 16: 7759-69 (2008)


Article DOI: 10.1016/j.bmc.2008.07.005
BindingDB Entry DOI: 10.7270/Q2DZ096D
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50262342
PNG
(11-Amino-3,3-dimethyl-12-pyridin-4-yl-3,4,5,7,8,9,...)
Show SMILES CC1(C)CC(=O)C2C(c3ccncc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C23H26N4O/c1-23(2)11-16-19(17(28)12-23)18(13-7-9-25-10-8-13)20-21(24)14-5-3-4-6-15(14)26-22(20)27-16/h7-10,18-19H,3-6,11-12H2,1-2H3,(H2,24,26)
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MMDB

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PC sid
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n/an/a>1.00E+5n/an/an/an/an/an/a



CSIC)

Curated by ChEMBL


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


Bioorg Med Chem 16: 7759-69 (2008)


Article DOI: 10.1016/j.bmc.2008.07.005
BindingDB Entry DOI: 10.7270/Q2DZ096D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50262342
PNG
(11-Amino-3,3-dimethyl-12-pyridin-4-yl-3,4,5,7,8,9,...)
Show SMILES CC1(C)CC(=O)C2C(c3ccncc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C23H26N4O/c1-23(2)11-16-19(17(28)12-23)18(13-7-9-25-10-8-13)20-21(24)14-5-3-4-6-15(14)26-22(20)27-16/h7-10,18-19H,3-6,11-12H2,1-2H3,(H2,24,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by spectrophotometry


Bioorg Med Chem 16: 7759-69 (2008)


Article DOI: 10.1016/j.bmc.2008.07.005
BindingDB Entry DOI: 10.7270/Q2DZ096D
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50262342
PNG
(11-Amino-3,3-dimethyl-12-pyridin-4-yl-3,4,5,7,8,9,...)
Show SMILES CC1(C)CC(=O)C2C(c3ccncc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C23H26N4O/c1-23(2)11-16-19(17(28)12-23)18(13-7-9-25-10-8-13)20-21(24)14-5-3-4-6-15(14)26-22(20)27-16/h7-10,18-19H,3-6,11-12H2,1-2H3,(H2,24,26)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE by Ellman's method


Bioorg Med Chem 16: 7759-69 (2008)


Article DOI: 10.1016/j.bmc.2008.07.005
BindingDB Entry DOI: 10.7270/Q2DZ096D
More data for this
Ligand-Target Pair