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BDBM325633 US9636336, Example 24::US9636336, Example 88::US9636336, Example 89::US9636336, Example 90::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-(2-fluorophenyl)-2-[(1-methyl-4-piperidyl)methoxy]-2-oxo-ethyl]amino]methyl]-thiophene-2-carboxylate

SMILES: COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1

InChI Key: InChIKey=XGPJUOKZRVMFBG-PTYUOYDSSA-N

Data: 8 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 8 hits for monomerid = 325633   
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))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/m0/s1
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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))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/m0/s1
PDB

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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))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/m0/s1
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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
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/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))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/m0/s1
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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))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/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))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/m0/s1
Reactome pathway
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PC sid
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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
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/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