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BDBM325618 US9636336, Example 8::[1-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethyl]5-[[[2-oxo-1-phenyl-2-(quinuclidin-4-ylmethoxy)ethyl]amino]methyl]thiophene-2-carboxylate

SMILES: COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1cc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)sc1C([O-])=O

InChI Key: InChIKey=IJTVWKYWQIEZOW-UHFFFAOYSA-M

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 325618   
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
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325618
PNG
(US9636336, Example 8 | [1-[3-(cyclopropylmethoxy)-...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1cc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)sc1C([O-])=O
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-50-34-10-9-27(17-35(34)51-23-25-7-8-25)29(19-31-32(41)21-45(49)22-33(31)42)30-18-28(53-37(30)38(46)47)20-43-36(26-5-3-2-4-6-26)39(48)52-24-40-11-14-44(15-12-40)16-13-40/h2-6,9-10,17-18,21-22,25,29,36,43H,7-8,11-16,19-20,23-24H2,1H3,(H,46,47)/p-1
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))
BDBM325618
PNG
(US9636336, Example 8 | [1-[3-(cyclopropylmethoxy)-...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1cc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)sc1C([O-])=O
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-50-34-10-9-27(17-35(34)51-23-25-7-8-25)29(19-31-32(41)21-45(49)22-33(31)42)30-18-28(53-37(30)38(46)47)20-43-36(26-5-3-2-4-6-26)39(48)52-24-40-11-14-44(15-12-40)16-13-40/h2-6,9-10,17-18,21-22,25,29,36,43H,7-8,11-16,19-20,23-24H2,1H3,(H,46,47)/p-1
Reactome pathway
KEGG

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