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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1/M2/M3/M4/M5' and Ligand = 'BDBM50471856'   
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 M1/M2/M3/M4/M5


(RAT)
BDBM50471856
PNG
(CHEMBL448736)
Show SMILES CC1O[C@@]2(CC1=O)CN1CCC2CC1 |wU:3.2,wD:3.3,TLB:2:3:10.9:12.13,THB:4:3:10.9:12.13,(12.07,-3.46,;10.98,-4.57,;9.44,-4.31,;8.74,-5.69,;9.82,-6.79,;11.2,-6.09,;12.58,-6.81,;8.23,-6.76,;6.96,-6.13,;6.96,-4.58,;7.29,-3.34,;7.37,-4.89,;6.27,-5.67,;5.64,-6.81,)|
Show InChI InChI=1S/C11H17NO2/c1-8-10(13)6-11(14-8)7-12-4-2-9(11)3-5-12/h8-9H,2-7H2,1H3/t8?,11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.


J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair