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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 = 'BDBM50204306'   
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))		BDBM50204306
PNG
(CHEMBL3897499)
Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|
Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to human M1 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay

Bioorg Med Chem Lett 26: 5689-5694 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R
More data for this
Ligand-Target Pair