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BDBM325715 US9636336, Example 119::US9636336, Example 121::US9636336, Example 122::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-(3-methoxyphenyl)-2-[(1-methyl-4-piperidyl)methoxy]-2-oxo-ethyl]amino]methyl]thiophene-2-carboxylate

SMILES: COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1

InChI Key: InChIKey=QZOOWRHXUJGLAT-GYXLRUHFSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 325715   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,35?/m0/s1
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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
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,35?/m0/s1
PDB

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
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,35?/m0/s1
PDB

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
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,35?/m0/s1
PDB

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
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9636336 (2017)

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


(Homo sapiens (Human))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,35?/m0/s1
Reactome pathway
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PC cid
PC sid
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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))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,35?/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