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BDBM50254483 3-(dimethylamino)butyl carbamate::CHEMBL449334

SMILES: CC(CCOC(N)=O)N(C)C

InChI Key: InChIKey=MOXFORDJUZKDKE-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50254483   
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.16E+3n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from alpha7 nAChR/5HT3A receptor (unknown origin) expressed in HEK293 cells


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50254483
PNG
(3-(dimethylamino)butyl carbamate | CHEMBL449334)
Show SMILES CC(CCOC(N)=O)N(C)C
Show InChI InChI=1S/C7H16N2O2/c1-6(9(2)3)4-5-11-7(8)10/h6H,4-5H2,1-3H3,(H2,8,10)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.70E+4n/an/an/an/a



Copenhagen University

Curated by ChEMBL


Assay Description
Agonist activity at alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells by FLIPR membrane potential assay


Bioorg Med Chem Lett 19: 87-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.011
BindingDB Entry DOI: 10.7270/Q2571BV9
More data for this
Ligand-Target Pair