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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M4' and Ligand = 'BDBM372270'   
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 M4


(RAT)
BDBM372270
PNG
(8-(3-azabicyclo[3.1.0] hexan-3-yl)-3,4- dimethylpy...)
Show SMILES Cc1nnc2sc3c(ncnc3c2c1C)N1CC2CC2C1
Show InChI InChI=1S/C15H15N5S/c1-7-8(2)18-19-15-11(7)12-13(21-15)14(17-6-16-12)20-4-9-3-10(9)5-20/h6,9-10H,3-5H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories



Assay Description
For high throughput measurement of agonist-evoked increases in intracellular calcium, CHO-K1 cells stably expressing muscarinic receptors were plated...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q2W09880
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM372270
PNG
(8-(3-azabicyclo[3.1.0] hexan-3-yl)-3,4- dimethylpy...)
Show SMILES Cc1nnc2sc3c(ncnc3c2c1C)N1CC2CC2C1
Show InChI InChI=1S/C15H15N5S/c1-7-8(2)18-19-15-11(7)12-13(21-15)14(17-6-16-12)20-4-9-3-10(9)5-20/h6,9-10H,3-5H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories



Assay Description
For high throughput measurement of agonist-evoked increases in intracellular calcium, CHO-K1 cells stably expressing muscarinic receptors were plated...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q2W09880
More data for this
Ligand-Target Pair