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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 = 'BDBM50538320'   
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))		BDBM50538320
PNG
(CHEMBL4638411)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccccc12 |c:21|
Show InChI InChI=1S/C67H83N9O7S/c1-66(2)53-25-11-15-29-57(53)74(60(66)32-7-5-8-33-61-67(3,4)54-26-12-16-30-58(54)75(61)43-21-22-46-84(81,82)83)42-19-6-9-34-62(77)68-39-40-69-63(78)36-35-51-47-73(49-70-51)41-20-18-23-50-37-44-72(45-38-50)48-64(79)76-56-28-14-10-24-52(56)65(80)71-55-27-13-17-31-59(55)76/h5,7-8,10-17,24-33,47,49-50H,6,9,18-23,34-46,48H2,1-4H3,(H3-,68,69,71,77,78,80,81,82,83)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.933n/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 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