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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50275267   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
58n/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 subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


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-4


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.60E+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))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+5n/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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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