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BDBM50030221 CHEMBL3354066

SMILES: CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=QTQLWKLZSPZQTO-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 = 50030221   
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 M4


(Homo sapiens (Human))
BDBM50030221
PNG
(CHEMBL3354066)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C28H39N5O2S/c1-31-15-4-9-24(21-31)27-28(30-36-29-27)35-20-5-7-22-13-18-32(19-14-22)16-6-17-33-25-10-3-2-8-23(25)11-12-26(33)34/h2-3,8-10,22H,4-7,11-21H2,1H3
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26n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M4 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50030221
PNG
(CHEMBL3354066)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C28H39N5O2S/c1-31-15-4-9-24(21-31)27-28(30-36-29-27)35-20-5-7-22-13-18-32(19-14-22)16-6-17-33-25-10-3-2-8-23(25)11-12-26(33)34/h2-3,8-10,22H,4-7,11-21H2,1H3
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66n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M2 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50030221
PNG
(CHEMBL3354066)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C28H39N5O2S/c1-31-15-4-9-24(21-31)27-28(30-36-29-27)35-20-5-7-22-13-18-32(19-14-22)16-6-17-33-25-10-3-2-8-23(25)11-12-26(33)34/h2-3,8-10,22H,4-7,11-21H2,1H3
UniProtKB/SwissProt

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78n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M1 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50030221
PNG
(CHEMBL3354066)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C28H39N5O2S/c1-31-15-4-9-24(21-31)27-28(30-36-29-27)35-20-5-7-22-13-18-32(19-14-22)16-6-17-33-25-10-3-2-8-23(25)11-12-26(33)34/h2-3,8-10,22H,4-7,11-21H2,1H3
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93n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M3 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50030221
PNG
(CHEMBL3354066)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C28H39N5O2S/c1-31-15-4-9-24(21-31)27-28(30-36-29-27)35-20-5-7-22-13-18-32(19-14-22)16-6-17-33-25-10-3-2-8-23(25)11-12-26(33)34/h2-3,8-10,22H,4-7,11-21H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
102n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human M5 receptor expressed in CHO cells by microplate scintillation counting based radioligand binding assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair