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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 = 'BDBM50538309'   
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))		BDBM50538309
PNG
(CHEMBL4646116)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1
Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 14n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay

J Med Chem 63: 4133-4154 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02172
BindingDB Entry DOI: 10.7270/Q2R214WT
More data for this
Ligand-Target Pair