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BDBM50135196 CHEMBL3745995

SMILES: O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C#N)c2cccnc12

InChI Key: InChIKey=WJPWIRPWKGFXST-ICSRJNTNSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135196   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50135196
PNG
(CHEMBL3745995)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C#N)c2cccnc12 |r|
Show InChI InChI=1S/C22H22N4O2/c23-12-15-7-9-16(10-8-15)13-26-14-17(21-19(26)5-3-11-24-21)22(28)25-18-4-1-2-6-20(18)27/h3,5,7-11,14,18,20,27H,1-2,4,6,13H2,(H,25,28)/t18-,20-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 478n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M1 receptor expressed in CHO cells assessed as acetylcholine-induced calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 26: 650-5 (2016)


BindingDB Entry DOI: 10.7270/Q29C708F
More data for this
Ligand-Target Pair