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BDBM123057 US8742134, (4)::US8742134, (5)::US8742134, (6)

SMILES: C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1

InChI Key: InChIKey=GIQCKBPBJOZAKR-XSNSTOHYSA-N

Data: 3 KI  3 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 3 hits for monomerid = 123057   
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))
BDBM123057
PNG
(US8742134, (4) | US8742134, (5) | US8742134, (6))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1
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PC cid
PC sid
UniChem

Similars

US Patent
0.220 -13.0 0.300n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123057
PNG
(US8742134, (4) | US8742134, (5) | US8742134, (6))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.5 -11.9 2.10n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM123057
PNG
(US8742134, (4) | US8742134, (5) | US8742134, (6))
Show SMILES C[N+]1(C)C2CCC1[C@H](C2)OC(=O)[C@@](O)(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C21H30NO3/c1-22(2)17-12-13-18(22)19(14-17)25-20(23)21(24,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-19,24H,6-7,10-14H2,1-2H3/q+1/t17?,18?,19-,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
2.10 -11.7 2.90n/an/an/an/an/a22



Theron Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding studies were carried out with M3 receptor cell homogenates as described (Peralta et al., The EMBO Journal 6, 3923-3929, (1987)). ...


US Patent US8742134 (2014)


BindingDB Entry DOI: 10.7270/Q20000SX
More data for this
Ligand-Target Pair