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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 = 'BDBM50025033'   
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


(GUINEA PIG)
BDBM50025033
PNG
(CHEMBL3337861)
Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28|
Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 407n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(GUINEA PIG)
BDBM50025033
PNG
(CHEMBL3337861)
Show SMILES [H][C@@]12C[C@@]3([H])[C@H](CC)CN1CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CCN2C[C@@H](CCO)[C@]4([H])C[C@@]12[H] |r,c:23,t:28|
Show InChI InChI=1S/C38H44N4O/c1-2-23-19-39-14-12-37-29-7-3-6-10-32(29)42-22-28-26-18-34-38(13-15-40(34)20-24(26)11-16-43)30-8-4-5-9-31(30)41(36(28)38)21-27(35(37)42)25(23)17-33(37)39/h3-10,21-26,33-36,43H,2,11-20H2,1H3/b27-21-,28-22-/t23-,24-,25+,26+,33?,34?,35+,36+,37-,38-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 410n/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from pig muscarinic M2 receptor after 120 mins by liquid scintillation counting


J Nat Prod 77: 2006-13 (2014)


Article DOI: 10.1021/np500259j
BindingDB Entry DOI: 10.7270/Q2H70HD8
More data for this
Ligand-Target Pair