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BDBM50415145 CHEMBL571121

SMILES: CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=MVNBPMNELMRFMU-KNQAVFIVSA-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 = 50415145   
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))
BDBM50415145
PNG
(CHEMBL571121)
Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1
UniProtKB/SwissProt

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1.23n/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))
BDBM50415145
PNG
(CHEMBL571121)
Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1
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KEGG

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1.66n/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 M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50415145
PNG
(CHEMBL571121)
Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1
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3.31n/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))
BDBM50415145
PNG
(CHEMBL571121)
Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1
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3.98n/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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50415145
PNG
(CHEMBL571121)
Show SMILES CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C22H29NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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PC sid
UniChem
Article
PubMed
4.57n/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