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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM43820'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
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antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
6.94E+4n/an/an/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2319T98
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM43820
PNG
(4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidin...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
Show InChI InChI=1S/C17H24ClN3O3/c1-2-24-17(23)21-11-7-13(8-12-21)19-9-10-20-16(22)14-5-3-4-6-15(14)18/h3-6,13,19H,2,7-12H2,1H3,(H,20,22)
PDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.24E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of novel allosteric modulators of the M1 mus...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26T0K17
More data for this
Ligand-Target Pair