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BDBM50305817 1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione::CHEMBL604482::cid_44602489

SMILES: FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1

InChI Key: InChIKey=HRSJEMJKLHWGLF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50305817   
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)
BDBM50305817
PNG
(1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO4/c23-22(24,25)30-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-12H,13H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.32E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K64GH0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50305817
PNG
(1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO4/c23-22(24,25)30-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-12H,13H2
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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation activity at muscarinic M5 receptor


J Med Chem 55: 1445-64 (2012)


Article DOI: 10.1021/jm201139r
BindingDB Entry DOI: 10.7270/Q25D8SWH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50305817
PNG
(1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO4/c23-22(24,25)30-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-12H,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+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