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BDBM50284323 2,2-Dimethyl-propionic acid (1R,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-dimethyl-piperidin-2-yl)-vinyl]-3-methyl-dodecahydro-naphtho[2,3-c]furan-1-yl ester::CHEMBL158589

SMILES: C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

InChI Key: InChIKey=VGEVZGPUSONIIS-FCWAOUHXSA-N

Data: 2 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50284323   
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 M2


(RAT)
BDBM50284323
PNG
(2,2-Dimethyl-propionic acid (1R,3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C27H45NO3/c1-17-10-9-12-20(28(17)6)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)30-25(23)31-26(29)27(3,4)5/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
PDB

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PC cid
PC sid
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Similars

Article
n/an/an/a 464n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50284323
PNG
(2,2-Dimethyl-propionic acid (1R,3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C27H45NO3/c1-17-10-9-12-20(28(17)6)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)30-25(23)31-26(29)27(3,4)5/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
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UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/an/a 2.52E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor expressed in CHO-K1 cells transfected with human muscarinic receptor sequence using radioligand [3H]-quinuclidin...


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair