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BDBM50412173 CHEMBL496915

SMILES: CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1

InChI Key: InChIKey=UNZBDOQVZFAUNP-LCCWGKBJSA-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 = 50412173   
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 M3


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
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24.0n/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 M5


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
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30.2n/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))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
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38.0n/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 M2


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
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38.0n/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 M2


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
PDB

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Article
PubMed
66.1n/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 M4


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
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93.3n/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 M1


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
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Article
PubMed
107n/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))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
Reactome pathway
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200n/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))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
Reactome pathway
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Article
PubMed
257n/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 M5


(Homo sapiens (Human))
BDBM50412173
PNG
(CHEMBL496915)
Show SMILES CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H29NO2S/c1-21-14-8-13-18(21)19-15-24(22)20(23-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20+,24?/m1/s1
Reactome pathway
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Article
PubMed
288n/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