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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 = 'BDBM50025027'   
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)
BDBM50025027
PNG
(CHEMBL3337867)
Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:26,t:31|
Show InChI InChI=1S/C44H54N4.2BrH/c1-5-19-47-21-17-43-35-13-9-11-15-37(35)45-26-34-32-24-40-44(18-22-48(40,20-6-2)28-30(32)8-4)36-14-10-12-16-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(7-3)27-47;;/h5-6,9-16,25-26,29-32,39-42H,1-2,7-8,17-24,27-28H2,3-4H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 36n/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)
BDBM50025027
PNG
(CHEMBL3337867)
Show SMILES [Br-].[Br-].[H][C@@]12C[C@@]3([H])[C@H](CC)C[N+]1(CC=C)CC[C@@]21c2ccccc2N2\C=C4/[C@]5([H])N(\C=C3/[C@@]12[H])c1ccccc1[C@@]51CC[N+]2(CC=C)C[C@@H](CC)[C@]4([H])C[C@@]12[H] |r,c:26,t:31|
Show InChI InChI=1S/C44H54N4.2BrH/c1-5-19-47-21-17-43-35-13-9-11-15-37(35)45-26-34-32-24-40-44(18-22-48(40,20-6-2)28-30(32)8-4)36-14-10-12-16-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(7-3)27-47;;/h5-6,9-16,25-26,29-32,39-42H,1-2,7-8,17-24,27-28H2,3-4H3;2*1H/q+2;;/p-2/b33-25-,34-26-;;/t29-,30-,31+,32+,39+,40+,41+,42+,43-,44-,47?,48?;;/m1../s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 36n/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