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BDBM50076083 (3S,3aR,4R,4aS,8aR,9aS)-4-[3-(2-Ethyl-piperidin-1-yl)-propyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one::CHEMBL426032

SMILES: CCC1CCCCN1CCC[C@H]1[C@H]2[C@H](C)OC(=O)[C@H]2C[C@H]2CCCC[C@H]12

InChI Key: InChIKey=WZYQNTPWCRAGPJ-XPGAHIJWSA-N

Data: 2 KI

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 = 50076083   
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


(Homo sapiens (Human))
BDBM50076083
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[3-(2-Ethyl-piperidin-1-...)
Show SMILES CCC1CCCCN1CCC[C@H]1[C@H]2[C@H](C)OC(=O)[C@H]2C[C@H]2CCCC[C@H]12
Show InChI InChI=1S/C23H39NO2/c1-3-18-10-6-7-13-24(18)14-8-12-20-19-11-5-4-9-17(19)15-21-22(20)16(2)26-23(21)25/h16-22H,3-15H2,1-2H3/t16-,17+,18?,19-,20+,21-,22+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
209n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human muscarinic M2 receptor in CHO-KI cells using [3H]- QNB as radioligand


Bioorg Med Chem Lett 9: 901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00101-8
BindingDB Entry DOI: 10.7270/Q2J102CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50076083
PNG
((3S,3aR,4R,4aS,8aR,9aS)-4-[3-(2-Ethyl-piperidin-1-...)
Show SMILES CCC1CCCCN1CCC[C@H]1[C@H]2[C@H](C)OC(=O)[C@H]2C[C@H]2CCCC[C@H]12
Show InChI InChI=1S/C23H39NO2/c1-3-18-10-6-7-13-24(18)14-8-12-20-19-11-5-4-9-17(19)15-21-22(20)16(2)26-23(21)25/h16-22H,3-15H2,1-2H3/t16-,17+,18?,19-,20+,21-,22+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
341n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human muscarinic M1 receptor in CHO-KI cells using [3H]- QNB as radioligand


Bioorg Med Chem Lett 9: 901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00101-8
BindingDB Entry DOI: 10.7270/Q2J102CP
More data for this
Ligand-Target Pair