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BDBM50412310 CHEMBL478227

SMILES: CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12

InChI Key: InChIKey=PJRZQQXWGYRGCW-VQTJNVASSA-N

Data: 4 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 4 hits for monomerid = 50412310   
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 M2


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
PDB

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PC cid
PC sid
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Article
PubMed
646n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
UniProtKB/SwissProt
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antibodypedia
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PC sid
UniChem

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Article
PubMed
1.45E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
PDB

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PubMed
2.45E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair