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SMILES: CCCCSc1nsnc1C1CN2CCC1CC2

InChI Key: InChIKey=WZZPXVURFDJHGI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50471485   
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/M2/M3/M4/M5


(RAT)		BDBM50471485
PNG
(Vedaclidine)
Show SMILES CCCCSc1nsnc1C1CN2CCC1CC2 |(16.46,-2.74,;15.65,-4.05,;14.12,-3.99,;13.3,-5.3,;11.76,-5.24,;10.94,-6.55,;11.52,-7.98,;10.35,-8.98,;9.04,-8.15,;9.4,-6.67,;8.41,-5.49,;6.9,-5.77,;5.93,-4.58,;6.45,-3.12,;7.96,-2.86,;8.95,-4.05,;7.8,-3.47,;7.42,-4.98,)|
Show InChI InChI=1S/C13H21N3S2/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 0.400n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptors using [3H]oxotremorine-M as radioligand in rat cortex

J Med Chem 40: 538-46 (1997)


Article DOI: 10.1021/jm9602470
BindingDB Entry DOI: 10.7270/Q2SQ934F
More data for this
Ligand-Target Pair