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SMILES: CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1

InChI Key: InChIKey=UTUFKUUIPTWXPH-UHFFFAOYSA-N

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 8 hits for monomerid = 50263487   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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316n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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UniChem
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2.69E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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3.16E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Agonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as RLuc8-fused Galphaq activation after 2 ...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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3.89E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
PDB

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antibodypedia
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UniChem
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4.17E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
PDB

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5.13E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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UniChem
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7.08E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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UniChem
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9.12E+3n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair