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BDBM325714 US9636336, Example 118::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-(2-methoxyphenyl)-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)c2ccccc2OC)s1

InChI Key: InChIKey=RXTZRKONYFRYKX-GYXLRUHFSA-N

Data: 2 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 2 hits for monomerid = 325714   
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))
BDBM325714
PNG
(US9636336, Example 118 | [(1S)-2-(3,5-dichloro-1-o...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-15-13-23(14-16-41)22-49-37(44)35(26-7-5-6-8-30(26)46-2)40-19-25-10-12-34(51-25)36(43)50-32(18-27-28(38)20-42(45)21-29(27)39)24-9-11-31(47-3)33(17-24)48-4/h5-12,17,20-21,23,32,35,40H,13-16,18-19,22H2,1-4H3/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325714
PNG
(US9636336, Example 118 | [(1S)-2-(3,5-dichloro-1-o...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-15-13-23(14-16-41)22-49-37(44)35(26-7-5-6-8-30(26)46-2)40-19-25-10-12-34(51-25)36(43)50-32(18-27-28(38)20-42(45)21-29(27)39)24-9-11-31(47-3)33(17-24)48-4/h5-12,17,20-21,23,32,35,40H,13-16,18-19,22H2,1-4H3/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