BindingDB logo
myBDB logout

BDBM50135208 CHEMBL3746599

SMILES: O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2ccccc12

InChI Key: InChIKey=DOTYFYMBJHPLRJ-UPVQGACJSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135208   
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))		BDBM50135208
PNG
(CHEMBL3746599)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2ccccc12 |r|
Show InChI InChI=1S/C25H26N4O2/c30-24-9-4-2-7-22(24)27-25(31)21-17-28(23-8-3-1-6-20(21)23)16-18-10-12-19(13-11-18)29-15-5-14-26-29/h1,3,5-6,8,10-15,17,22,24,30H,2,4,7,9,16H2,(H,27,31)/t22-,24-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 163n/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