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SMILES: C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC34)[C@@H]12

InChI Key: InChIKey=GZCFTOXAOVPCDV-ANMDNIILSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50076090   
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))		BDBM50076090
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(octahydro-q...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC34)[C@@H]12
Show InChI InChI=1S/C25H41NO2/c1-17-24-21(20-11-4-2-9-19(20)16-22(24)25(27)28-17)12-7-15-26-14-6-10-18-8-3-5-13-23(18)26/h17-24H,2-16H2,1H3/t17-,18?,19+,20-,21+,22-,23?,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 13n/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)


BindingDB Entry DOI: 10.7270/Q2J102CP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50076090
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(octahydro-q...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC34)[C@@H]12
Show InChI InChI=1S/C25H41NO2/c1-17-24-21(20-11-4-2-9-19(20)16-22(24)25(27)28-17)12-7-15-26-14-6-10-18-8-3-5-13-23(18)26/h17-24H,2-16H2,1H3/t17-,18?,19+,20-,21+,22-,23?,24+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 38n/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)


BindingDB Entry DOI: 10.7270/Q2J102CP
More data for this
Ligand-Target Pair