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BDBM50254538 3-(dimethylamino)butyl methylcarbamate::CHEMBL466400

SMILES: CNC(=O)OCCC(C)N(C)C

InChI Key: InChIKey=VEDPMPOSMIIBBR-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50254538   
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))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+5n/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