Found 2 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM354685' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354685
(US9809582, Example 30 | US9809582, Example 31)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.37,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.21,8.77,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/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 US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354685
(US9809582, Example 30 | US9809582, Example 31)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.37,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.21,8.77,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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 US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
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