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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50055976'   
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


(Bos taurus)
BDBM50055976
PNG
((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,wD:12.13,7.10,TLB:9:7:2.3:6.5,(13.94,-4.53,;13.94,-2.99,;14.71,-1.66,;13.24,-1.26,;14.01,.06,;15.34,-.72,;15.34,-2.26,;12.68,-.71,;12.68,-2.25,;11.35,.06,;10.02,-.71,;10.02,-2.26,;8.66,.09,;9.46,1.42,;7.33,.86,;6,.09,;4.67,.86,;4.67,2.4,;6,3.17,;7.33,2.4,;7.89,-1.27,;6.35,-1.27,;5.58,-2.6,;6.35,-3.94,;7.89,-3.95,;8.66,-2.62,)|
Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0100n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50055976
PNG
((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,wD:12.13,7.10,TLB:9:7:2.3:6.5,(13.94,-4.53,;13.94,-2.99,;14.71,-1.66,;13.24,-1.26,;14.01,.06,;15.34,-.72,;15.34,-2.26,;12.68,-.71,;12.68,-2.25,;11.35,.06,;10.02,-.71,;10.02,-2.26,;8.66,.09,;9.46,1.42,;7.33,.86,;6,.09,;4.67,.86,;4.67,2.4,;6,3.17,;7.33,2.4,;7.89,-1.27,;6.35,-1.27,;5.58,-2.6,;6.35,-3.94,;7.89,-3.95,;8.66,-2.62,)|
Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0200n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair