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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 = 'BDBM50538315'   
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))		BDBM50538315
PNG
(CHEMBL4641328)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C58H76N12O5/c59-40-43-37-44(55(72)60-22-31-65-27-18-46(19-28-65)68-29-20-47(21-30-68)69-52-14-5-3-12-50(52)63-58(69)75)39-45(38-43)56(73)61-23-32-66-35-33-64(34-36-66)24-8-7-9-42-16-25-67(26-17-42)41-54(71)70-51-13-4-1-10-48(51)57(74)62-49-11-2-6-15-53(49)70/h1-6,10-15,37-39,42,46-47H,7-9,16-36,40-41,59H2,(H,60,72)(H,61,73)(H,62,74)(H,63,75)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 1.60n/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