BindingDB logo
myBDB logout

BDBM325610 US9636336, Example 105c

SMILES: COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1

InChI Key: InChIKey=GOCMUTOWODFWMR-BRKUKBBPSA-N

Data: 1 KI  1 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 = 325610   
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))
BDBM325610
PNG
(US9636336, Example 105c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-15-13-25(14-16-40)48-35(44)36(22-42,24-7-5-4-6-8-24)39-19-26-10-12-33(50-26)34(43)49-31(18-27-28(37)20-41(45)21-29(27)38)23-9-11-30(46-2)32(17-23)47-3/h4-12,17,20-21,25,31,39,42H,13-16,18-19,22H2,1-3H3/t31-,36?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.230n/an/an/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))
BDBM325610
PNG
(US9636336, Example 105c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-15-13-25(14-16-40)48-35(44)36(22-42,24-7-5-4-6-8-24)39-19-26-10-12-33(50-26)34(43)49-31(18-27-28(37)20-41(45)21-29(27)38)23-9-11-30(46-2)32(17-23)47-3/h4-12,17,20-21,25,31,39,42H,13-16,18-19,22H2,1-3H3/t31-,36?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.450n/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