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BDBM50305821 1-(4-(6-fluoropyridin-3-yl)benzyl)-5-(trifluoromethoxy)indoline-2,3-dione::CHEMBL596509

SMILES: Fc1ccc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1

InChI Key: InChIKey=AWIDPYRUVXANEO-UHFFFAOYSA-N

Data: 2 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50305821   
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/M5 chimeric protein


(Homo sapiens (Human))
BDBM50305821
PNG
(1-(4-(6-fluoropyridin-3-yl)benzyl)-5-(trifluoromet...)
Show SMILES Fc1ccc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C21H12F4N2O3/c22-18-8-5-14(10-26-18)13-3-1-12(2-4-13)11-27-17-7-6-15(30-21(23,24)25)9-16(17)19(28)20(27)29/h1-10H,11H2
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization


Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50305821
PNG
(1-(4-(6-fluoropyridin-3-yl)benzyl)-5-(trifluoromet...)
Show SMILES Fc1ccc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C21H12F4N2O3/c22-18-8-5-14(10-26-18)13-3-1-12(2-4-13)11-27-17-7-6-15(30-21(23,24)25)9-16(17)19(28)20(27)29/h1-10H,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization


Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair