BindingDB logo
myBDB logout

BDBM325648 US9636336, Example 41::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-(3-hydroxyphenyl)-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)c2cccc(O)c2)s1

InChI Key: InChIKey=PRJXXSMBXYVGIO-PTYUOYDSSA-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 = 325648   
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))
BDBM325648
PNG
(US9636336, Example 41 | [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-13-11-22(12-14-40)21-48-36(44)34(24-5-4-6-25(42)15-24)39-18-26-8-10-33(50-26)35(43)49-31(17-27-28(37)19-41(45)20-29(27)38)23-7-9-30(46-2)32(16-23)47-3/h4-10,15-16,19-20,22,31,34,39,42H,11-14,17-18,21H2,1-3H3/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))
BDBM325648
PNG
(US9636336, Example 41 | [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-13-11-22(12-14-40)21-48-36(44)34(24-5-4-6-25(42)15-24)39-18-26-8-10-33(50-26)35(43)49-31(17-27-28(37)19-41(45)20-29(27)38)23-7-9-30(46-2)32(16-23)47-3/h4-10,15-16,19-20,22,31,34,39,42H,11-14,17-18,21H2,1-3H3/t31-,34?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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