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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M1' and Ligand = 'BDBM50458460'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50458460
PNG
(CHEMBL4214668)
Show SMILES COc1ccc(Cn2cc(C(=O)NCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C34H34N4O3/c1-41-24-17-15-23(16-18-24)21-38-22-28(33(39)27-11-4-7-14-31(27)38)34(40)36-20-8-19-35-32-25-9-2-5-12-29(25)37-30-13-6-3-10-26(30)32/h2,4-5,7,9,11-12,14-18,22H,3,6,8,10,13,19-21H2,1H3,(H,35,37)(H,36,40)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 455n/an/an/an/an/an/a



University of Defence

Curated by ChEMBL


Assay Description
Antagonist activity at human M1 mAChR expressed in CHO cells assessed as inhibition of oxotremorine M-stimulated calcium influx preincubated for 10 m...

Eur J Med Chem 150: 292-306 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.083
BindingDB Entry DOI: 10.7270/Q2W95CT0
More data for this
Ligand-Target Pair