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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.4
BDBM50012332

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50012332
PNG
(11-{2-[4-(4-Amino-butyl)-piperazin-1-yl]-acetyl}-5...)
Show SMILES NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C22H28N6O2/c23-9-3-4-11-26-12-14-27(15-13-26)16-20(29)28-19-8-2-1-6-17(19)22(30)25-18-7-5-10-24-21(18)28/h1-2,5-8,10H,3-4,9,11-16,23H2,(H,25,30)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.74E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-N-methylscopolamine to muscarinic acetylcholine receptor M2 of rat heart tissue membrane.


J Med Chem 34: 2133-45 (1991)


BindingDB Entry DOI: 10.7270/Q2SJ1JKW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50012332
PNG
(11-{2-[4-(4-Amino-butyl)-piperazin-1-yl]-acetyl}-5...)
Show SMILES NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C22H28N6O2/c23-9-3-4-11-26-12-14-27(15-13-26)16-20(29)28-19-8-2-1-6-17(19)22(30)25-18-7-5-10-24-21(18)28/h1-2,5-8,10H,3-4,9,11-16,23H2,(H,25,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.08E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]-N-methylscopolamine to muscarinic acetylcholine receptor M1 of transfected rat A9L cells.


J Med Chem 34: 2133-45 (1991)


BindingDB Entry DOI: 10.7270/Q2SJ1JKW
More data for this
Ligand-Target Pair