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SMILES: CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2

InChI Key: InChIKey=SEGZJJSZYOEABC-DJBFQZMMSA-N

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 4 hits for monomerid = 193834   
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 M1


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 13n/an/an/a25



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair