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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50525119'   
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 M2


(Homo sapiens (Human))		BDBM50525119
PNG
(CHEMBL4548432)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|
Show InChI InChI=1S/C38H54N8O5.3C2HF3O2/c1-27(41-37(50)28(2)40-29(3)47)36(49)39-17-21-44-24-22-43(23-25-44)18-9-8-10-30-15-19-45(20-16-30)26-35(48)46-33-13-6-4-11-31(33)38(51)42-32-12-5-7-14-34(32)46;3*3-2(4,5)1(6)7/h4-7,11-14,27-28,30H,8-10,15-26H2,1-3H3,(H,39,49)(H,40,47)(H,41,50)(H,42,51);3*(H,6,7)/t27-,28-;;;/m0.../s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 0.427n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-NMS from human muscarinic M2 receptor expressed in CHO-K9 cells after 3 hrs by microbeta2 scintillation counting method

J Med Chem 62: 5358-5369 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01967
BindingDB Entry DOI: 10.7270/Q25H7KQF
More data for this
Ligand-Target Pair