BindingDB logo
myBDB logout

BDBM50185428 CHEMBL3824165

SMILES: Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1

InChI Key: InChIKey=IEJGXIXJQXIESF-UHFFFAOYSA-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 = 50185428   
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


(RAT)
BDBM50185428
PNG
(CHEMBL3824165)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-8-28-20(21(27)29)5-6-24-28/h2-6,9-11H,7-8,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair