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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50428081   
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 protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 42n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2...


J Med Chem 56: 3000-11 (2013)


Article DOI: 10.1021/jm4000374
BindingDB Entry DOI: 10.7270/Q21Z45R1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+4n/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
IC50(10′): The functional properties of the ligands were determined by 86Rb+ efflux assays in cells expressing α3β4 and α4β...


US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair