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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM325711'   
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))
BDBM325711
PNG
(US9636336, Example 115 | US9636336, Example 126 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31-,36?/m0/s1
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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))
BDBM325711
PNG
(US9636336, Example 115 | US9636336, Example 126 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31-,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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325711
PNG
(US9636336, Example 115 | US9636336, Example 126 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31-,36?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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