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BDBM50076085 (3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(4-methyl-piperazin-1-yl)-propyl]-decahydro-naphtho[2,3-c]furan-1-one::CHEMBL170922

SMILES: C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12

InChI Key: InChIKey=TWZHATSAMULYRA-HMGBVJPOSA-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 = 50076085   
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))
BDBM50076085
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(4-methyl-pi...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12
Show InChI InChI=1S/C21H36N2O2/c1-15-20-18(8-5-9-23-12-10-22(2)11-13-23)17-7-4-3-6-16(17)14-19(20)21(24)25-15/h15-20H,3-14H2,1-2H3/t15-,16+,17-,18+,19-,20+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
579n/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
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50076085
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(4-methyl-pi...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12
Show InChI InChI=1S/C21H36N2O2/c1-15-20-18(8-5-9-23-12-10-22(2)11-13-23)17-7-4-3-6-16(17)14-19(20)21(24)25-15/h15-20H,3-14H2,1-2H3/t15-,16+,17-,18+,19-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
595n/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