BDBM50076089 (3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methyl-6-(S)-methyl-piperidin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one::(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::(3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::(3S,3aR,4R,4aS,8aR,9aS)-4-[2-((3S,5R)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::4-[2-(1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::4-[2-[1,6-dimethyl-(2R,6S)-hexahydro-2-pyridinyl]-(E)-1-ethenyl]-3-methyl-(3S,3aR,4R,4aS,8aR,9aS)-perhydrobenzo[f]isobenzofuran-1-one::CHEMBL277642

SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

InChI Key InChIKey=FMPNFDSPHNUFOS-UHFFFAOYSA-N

Data  21 KI  6 IC50  9 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50076089   

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  168nMAssay Description:Displacement of [3H]QNB from muscarinic receptor 1 expressed in CHO-K1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

TargetAcetylcholinesterase(Electric eel)
Abo Akademi University

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataIC50: 2.27E+4nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataIC50: 1.02E+3nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]NMS binding using membranes from transfected chinese ha...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataIC50: 114nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS binding using membranes from transfected chinese ha...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataIC50: 548nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]NMS radioligand using membranes from transfect...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataIC50: 334nMAssay Description:Compound was evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS radioligand using membranes from trans...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataIC50: 18nMAssay Description:Evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS binding using membranes from transfected chinese hamste...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  10nMAssay Description:Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]quinuclidinyl benzilate ([3H]QNB)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  148nMAssay Description:Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]quinuclidiny...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  9.10nMAssay Description:Displacement of [3H]QNB from rat brain stem muscarinic receptor 2 (M2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  5.40nMAssay Description:Potency assessed to inhibit cAMP levels in rat striatum, for blocking oxotremorine-M, in functional assay for Muscarinic acetylcholine receptor M4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  3nMAssay Description:Dissociation constant for the blocking of brainstem muscarinic M2 receptor was reported.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  11nMAssay Description:Potency assessed to inhibit cAMP levels in N1E-115 neuroblastoma cells, for blocking oxotremorine-M in functional assay for Muscarinic acetylcholine ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  6.90nMAssay Description:Dissociation constant for the blocking of heart muscarinic M2 receptor was reported.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKd:  4.60nMAssay Description:Dissociation constant for the blocking of brainstem muscarinic M2 receptor was reported.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetMuscarinic acetylcholine receptor M2(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  4.5nMAssay Description:In vitro inhibitory activity against cloned human M2 muscarinic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  4.5nMAssay Description:Binding affinity towards human muscarinic M1 receptor in CHO-KI cells using [3H]- QNB as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  10nMAssay Description:Binding affinity against the muscarinic M2 (brainstem) subtype was evaluated using [3H]quinuclidinyl benzilateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  10nMAssay Description:Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  10nMAssay Description:Binding affinity against human muscarine receptor (hM2) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  10nMAssay Description:Binding affinity against human muscarine receptor (hM2) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  11nMAssay Description:Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  11nMAssay Description:Binding affinity against human muscarine receptor (hM4) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M4(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  11nMAssay Description:Binding affinity against human muscarine receptor (hM4) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  13nMAssay Description:The compound was tested in vitro for binding activity against M2 muscarinic receptor in homogenates of the brainstem of rat using [3H]quinuclidinyl b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  48nMAssay Description:In vitro inhibitory activity against cloned human M1 muscarinic receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  48nMAssay Description:Binding affinity towards human muscarinic M2 receptor in CHO-KI cells using [3H]- QNB as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Rat)
Kyorin Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  63nMAssay Description:Binding affinity against the muscarinic M1 (cortex) subtype was evaluated using [3H]pirenzepineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Rat)
Kyorin Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  79nMAssay Description:The compound was tested in vitro for binding activity against M1 muscarinic receptor in homogenates of the cerebral cortex of rat using [3H]pirenzepi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  93nMAssay Description:Binding affinity against human muscarine receptor (hM3) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  93nMAssay Description:Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  93.3nMAssay Description:Binding affinity against human muscarine receptor (hM3) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  107nMAssay Description:Binding affinity against human muscarine receptor (hM1) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  107nMAssay Description:Binding affinity against human muscarine receptor (hM1) cloned in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2018
Entry Details Article
PubMed
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  107nMAssay Description:Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2018
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M5(Human)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50076089((3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-D...)
Affinity DataKi:  490nMAssay Description:Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2018
Entry Details Article
PubMed