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BDBM50412182 CHEMBL539120

SMILES: C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=VPWKHNIBDCHPNN-UZNLOIBPSA-N

Data: 10 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 10 hits for monomerid = 50412182   
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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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3.02n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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3.02n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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4.17n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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12.0n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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17.8n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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23.4n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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26.9n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
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58.9n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412182
PNG
(CHEMBL539120)
Show SMILES C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H32NO2S/c1-22(2)15-9-14-19(22)20-16-25(23)21(24-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3/q+1/t19-,20+,21-,25?/m0/s1
PDB

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70.8n/an/an/an/an/an/an/an/a



Universit£ di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 16: 5490-500 (2008)


Article DOI: 10.1016/j.bmc.2008.04.013
BindingDB Entry DOI: 10.7270/Q21N82BT
More data for this
Ligand-Target Pair