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BDBM50415152 CHEMBL569760

SMILES: C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=AVNRDCQRRUOTCC-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50415152   
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


(Homo sapiens (Human))
BDBM50415152
PNG
(CHEMBL569760)
Show SMILES C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1
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Article
PubMed
2.09n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M1 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)


Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50415152
PNG
(CHEMBL569760)
Show SMILES C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1
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Article
PubMed
7.24n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)


Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415152
PNG
(CHEMBL569760)
Show SMILES C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1
PDB

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Article
PubMed
10.2n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M2 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)


Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50415152
PNG
(CHEMBL569760)
Show SMILES C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1
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Article
PubMed
11.5n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M5 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)


Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50415152
PNG
(CHEMBL569760)
Show SMILES C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H32NO2/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3,5-6,10-11,15-16,19-20,25H,4,7-9,12-14,17H2,1-2H3/q+1
PDB

Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
15.5n/an/an/an/an/an/an/an/a



Universita di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human cloned muscarinic M4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 201-7 (2010)


Article DOI: 10.1021/jm901048j
BindingDB Entry DOI: 10.7270/Q2D79CPP
More data for this
Ligand-Target Pair