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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 = 'BDBM48077'   
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)
BDBM48077
PNG
(3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-13-4-6-26-7-5-13)28-22-18(12)19(25)20(31-22)21(29)27-10-14-9-15(23)2-3-16(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 183n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q237775R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM48077
PNG
(3-amino-N-(2,5-difluorobenzyl)-4-methyl-6-(4-pyrid...)
Show SMILES Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
Show InChI InChI=1S/C22H18F2N4O2S/c1-12-8-17(30-11-13-4-6-26-7-5-13)28-22-18(12)19(25)20(31-22)21(29)27-10-14-9-15(23)2-3-16(14)24/h2-9H,10-11,25H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.58E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Colleen Niswender Assay Provider Affiliation: Vanderbilt University Grant Title: Discovery of a Highly Selective in vitro and in vivo...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2251GKR
More data for this
Ligand-Target Pair