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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50419740   
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
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Soluble acetylcholine receptor


(Aplysia Californica)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
631n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillat...


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from nAChR alpha7 receptor in human SH-SY5Y cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12 |r|
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
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
>3.16E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human nAChR alpha4beta2 receptor expressed in human HEK293T cells by scintillation counting


Bioorg Med Chem Lett 22: 1448-54 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.008
BindingDB Entry DOI: 10.7270/Q26Q1ZHD
More data for this
Ligand-Target Pair