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BDBM50262282 11-Amino-3,3-dimethyl-12-phenyl-3,4,5,7,8,9,10,12-octahydro-2H-dibenzo[b,g][1,8]naphthyridin-1-one::CHEMBL512096

SMILES: CC1(C)CC(=O)C2C(c3ccccc3)c3c(N)c4CCCCc4nc3N=C2C1

InChI Key: InChIKey=GIDORMMWJGKQJZ-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 = 50262282   
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))
BDBM50262282
PNG
(11-Amino-3,3-dimethyl-12-phenyl-3,4,5,7,8,9,10,12-...)
Show SMILES CC1(C)CC(=O)C2C(c3ccccc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C24H27N3O/c1-24(2)12-17-20(18(28)13-24)19(14-8-4-3-5-9-14)21-22(25)15-10-6-7-11-16(15)26-23(21)27-17/h3-5,8-9,19-20H,6-7,10-13H2,1-2H3,(H2,25,26)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
61.3n/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))
BDBM50262282
PNG
(11-Amino-3,3-dimethyl-12-phenyl-3,4,5,7,8,9,10,12-...)
Show SMILES CC1(C)CC(=O)C2C(c3ccccc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C24H27N3O/c1-24(2)12-17-20(18(28)13-24)19(14-8-4-3-5-9-14)21-22(25)15-10-6-7-11-16(15)26-23(21)27-17/h3-5,8-9,19-20H,6-7,10-13H2,1-2H3,(H2,25,26)
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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))
BDBM50262282
PNG
(11-Amino-3,3-dimethyl-12-phenyl-3,4,5,7,8,9,10,12-...)
Show SMILES CC1(C)CC(=O)C2C(c3ccccc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C24H27N3O/c1-24(2)12-17-20(18(28)13-24)19(14-8-4-3-5-9-14)21-22(25)15-10-6-7-11-16(15)26-23(21)27-17/h3-5,8-9,19-20H,6-7,10-13H2,1-2H3,(H2,25,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/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))
BDBM50262282
PNG
(11-Amino-3,3-dimethyl-12-phenyl-3,4,5,7,8,9,10,12-...)
Show SMILES CC1(C)CC(=O)C2C(c3ccccc3)c3c(N)c4CCCCc4nc3N=C2C1 |c:28|
Show InChI InChI=1S/C24H27N3O/c1-24(2)12-17-20(18(28)13-24)19(14-8-4-3-5-9-14)21-22(25)15-10-6-7-11-16(15)26-23(21)27-17/h3-5,8-9,19-20H,6-7,10-13H2,1-2H3,(H2,25,26)
PDB
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 710n/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