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4 similar compounds to monomer 50061562

Compile data set for download or QSAR
Wt: 275.3
BDBM86241
Wt: 275.3
BDBM50143313
Wt: 275.3
BDBM50241748
Wt: 275.3
BDBM50446501

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 86241,50143313,50241748,50446501   
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


(Rattus norvegicus (Rat))
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3
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24.6n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 619-26 (2005)


Article DOI: 10.1124/jpet.104.075069
BindingDB Entry DOI: 10.7270/Q2BK19XS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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98n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4/beta2 nAChR (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
n-AChR


(RAT)
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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130n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta4


(Chick)
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3
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201n/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)
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3
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502n/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))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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600n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6


(Chick)
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3
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2.80E+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
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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3.80E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3
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7.70E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 619-26 (2005)


Article DOI: 10.1124/jpet.104.075069
BindingDB Entry DOI: 10.7270/Q2BK19XS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5


(RAT)
BDBM86241
PNG
(CAS_23255-54-1 | Dihydro-Beta-erythroidine | NSC_3...)
Show SMILES COC1CC=C2CCN3CCC4=C(CC(=O)OC4)C23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 619-26 (2005)


Article DOI: 10.1124/jpet.104.075069
BindingDB Entry DOI: 10.7270/Q2BK19XS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50446501
PNG
(CHEMBL1319741 | Dihydro-Beta-Erythroidine Hydrobro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3beta4 nAChR transfected in HEK293 cells after 2 hrs by beta-plate counting analysis


J Med Chem 56: 10103-17 (2013)


Article DOI: 10.1021/jm401543h
BindingDB Entry DOI: 10.7270/Q25D8TBR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha7 nAChR (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Blockade of Nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 14: 1879-87 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.004
BindingDB Entry DOI: 10.7270/Q2WW7H3V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at rat alpha3beta4 nicotinic receptor expressed in KXalpha3beta4R2 cells assessed as nicotine-induced 86Rb+ efflux


J Nat Prod 69: 1514-6 (2006)


Article DOI: 10.1021/np060291a
BindingDB Entry DOI: 10.7270/Q2445M85
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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PubMed
n/an/a 410n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair