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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 = 'BDBM50228399'   
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))		BDBM50228399
PNG
(8-((S)-3-amino-piperidin-1-yl)-7-but-2-ynyl-3-meth...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CCC[C@H](N)C1
Show InChI InChI=1S/C23H26N6O3/c1-3-4-13-28-19-20(25-22(28)27-12-8-11-17(24)14-27)26(2)23(32)29(21(19)31)15-18(30)16-9-6-5-7-10-16/h5-7,9-10,17H,8,11-15,24H2,1-2H3/t17-/m0/s1
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Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cells

J Med Chem 50: 6450-3 (2007)


Article DOI: 10.1021/jm701280z
BindingDB Entry DOI: 10.7270/Q2639PGG
More data for this
Ligand-Target Pair