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4 similar compounds to monomer 50336020

Compile data set for download or QSAR
Wt: 324.4
BDBM80642
Purchase
Wt: 324.4
BDBM86243
Wt: 282.3
BDBM50188952
Wt: 268.3
BDBM50188955

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 80642,86243,50188952,50188955   
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 protein alpha-7 subunit


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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104n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis


J Med Chem 61: 10531-10544 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50188952
PNG
(CHEMBL379830 | N,N,N-trimethyl-2-(4-styrylphenoxy)...)
Show SMILES C[N+](C)(C)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C19H24NO/c1-20(2,3)15-16-21-19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3/q+1/b10-9+
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2.17E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex


Bioorg Med Chem Lett 16: 4283-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.080
BindingDB Entry DOI: 10.7270/Q2CJ8F8J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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>3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis


J Med Chem 61: 10531-10544 (2018)

More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6


(Chick)
BDBM86243
PNG
(CAS_17360 | MG624 | NSC_17360)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1
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4.52E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta4


(Chick)
BDBM86243
PNG
(CAS_17360 | MG624 | NSC_17360)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1
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9.20E+3n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta2


(Chick)
BDBM86243
PNG
(CAS_17360 | MG624 | NSC_17360)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Milan

Curated by PDSP Ki Database




Mol Pharmacol 63: 1329-37 (2003)


Article DOI: 10.1124/mol.63.6.1329
BindingDB Entry DOI: 10.7270/Q29W0D27
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50188955
PNG
(N,N-dimethyl-2-(4-styrylphenoxy)ethanaminium)
Show SMILES C[NH+](C)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C18H21NO/c1-19(2)14-15-20-18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/p+1/b9-8+
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex


Bioorg Med Chem Lett 16: 4283-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.080
BindingDB Entry DOI: 10.7270/Q2CJ8F8J
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-10/alpha-9 subunit


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...


J Med Chem 61: 10531-10544 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 41n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...


J Med Chem 61: 10531-10544 (2018)

More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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PCBioAssay
n/an/a 2.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 2.57E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 2.33E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM80642
PNG
(CHEMBL191491 | MG 624 | MLS002172460 | SMR00125409...)
Show SMILES CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
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n/an/a 110n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair