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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 = 'BDBM50538310'   
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))		BDBM50538310
PNG
(CHEMBL4649420)
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.C[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:25|
Show InChI InChI=1S/C62H78N8O3/c1-61(2)49-24-12-16-28-53(49)65(5)56(61)31-8-6-9-32-57-62(3,4)50-25-13-17-29-54(50)69(57)38-20-7-10-33-58(71)63-36-41-67-44-42-66(43-45-67)37-21-19-22-47-34-39-68(40-35-47)46-59(72)70-52-27-15-11-23-48(52)60(73)64-51-26-14-18-30-55(51)70/h6,8-9,11-18,23-32,47H,7,10,19-22,33-46H2,1-5H3,(H-,63,64,71,73)/p+1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
 4.5n/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