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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM325650'   
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 M3


(Homo sapiens (Human))
BDBM325650
PNG
(US9636336, Example 44 | US9636336, Example 45 | [(...)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(CNC(C(=O)OCC34CCN(CC3)CC4)c3ccccc3)s2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C40H41Cl2F2N3O7S/c41-30-21-47(50)22-31(42)29(30)19-33(27-8-10-32(54-39(43)44)34(18-27)51-23-25-6-7-25)53-37(48)35-11-9-28(55-35)20-45-36(26-4-2-1-3-5-26)38(49)52-24-40-12-15-46(16-13-40)17-14-40/h1-5,8-11,18,21-22,25,33,36,39,45H,6-7,12-17,19-20,23-24H2/t33-,36?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325650
PNG
(US9636336, Example 44 | US9636336, Example 45 | [(...)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(CNC(C(=O)OCC34CCN(CC3)CC4)c3ccccc3)s2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C40H41Cl2F2N3O7S/c41-30-21-47(50)22-31(42)29(30)19-33(27-8-10-32(54-39(43)44)34(18-27)51-23-25-6-7-25)53-37(48)35-11-9-28(55-35)20-45-36(26-4-2-1-3-5-26)38(49)52-24-40-12-15-46(16-13-40)17-14-40/h1-5,8-11,18,21-22,25,33,36,39,45H,6-7,12-17,19-20,23-24H2/t33-,36?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9636336 (2017)

More data for this
Ligand-Target Pair