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BDBM50031098 (E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester::CHEMBL127587

SMILES: O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1

InChI Key: InChIKey=MMUQVFDMUDOFSH-UCPUOCAQSA-N

Data: 6 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50031098   
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
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Article
PubMed
n/an/an/a 0.383n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 using [3H]QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


Article DOI: 10.1021/jm00020a004
BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
PDB

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PubMed
n/an/an/a 41n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


Article DOI: 10.1021/jm00020a004
BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
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PubMed
n/an/an/a 6.80n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M1 using [3H]QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


Article DOI: 10.1021/jm00020a004
BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
PDB

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PubMed
n/an/an/a 30n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


Article DOI: 10.1021/jm00020a004
BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.40n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M4 using [3H]QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


Article DOI: 10.1021/jm00020a004
BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 0.356n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M4 using [3H]QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


Article DOI: 10.1021/jm00020a004
BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair