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PubMed code 28885019

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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-7


(Homo sapiens (Human))
BDBM50241437
PNG
(CHEMBL4082927)
Show SMILES CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18N2/c1-2-13-8-10-14(11-9-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response admini...


J Med Chem 60: 7928-7934 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00875
BindingDB Entry DOI: 10.7270/Q20C4XX6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50241432
PNG
(CHEMBL4061049)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CC[S+]1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18NS/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response a...


J Med Chem 60: 7928-7934 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00875
BindingDB Entry DOI: 10.7270/Q20C4XX6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50241434
PNG
(CHEMBL3747954)
Show SMILES CC[N+]1(CC)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C14H23N2/c1-3-16(4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response admini...


J Med Chem 60: 7928-7934 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00875
BindingDB Entry DOI: 10.7270/Q20C4XX6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50241432
PNG
(CHEMBL4061049)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CC[S+]1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18NS/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response admini...


J Med Chem 60: 7928-7934 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00875
BindingDB Entry DOI: 10.7270/Q20C4XX6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50241434
PNG
(CHEMBL3747954)
Show SMILES CC[N+]1(CC)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C14H23N2/c1-3-16(4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.21E+5n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as induction of maximum current response administered for...


J Med Chem 60: 7928-7934 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00875
BindingDB Entry DOI: 10.7270/Q20C4XX6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50241432
PNG
(CHEMBL4061049)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CC[S+]1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H18NS/c1-2-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.00E+4n/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes assessed as induction of maximum current response administered for...


J Med Chem 60: 7928-7934 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00875
BindingDB Entry DOI: 10.7270/Q20C4XX6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%