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BDBM325647 US9636336, Example 111::US9636336, Example 112::US9636336, Example 38::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-[(1-methyl-4-piperidyl)methoxycarbonyl]indan-1-yl]amino]methyl]thiophene-2-carboxylate

SMILES: COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1

InChI Key: InChIKey=WVUXXAHFJDLWHZ-VGPLUOEVSA-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 = 325647   
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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/m0/s1
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UniProtKB/SwissProt

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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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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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