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BDBM50350949 CHEMBL1818214

SMILES: Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1

InChI Key: InChIKey=BYUCJIDUOZDIRZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50350949   
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
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50350949
PNG
(CHEMBL1818214)
Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
Show InChI InChI=1S/C26H26F2N6O2/c27-20-7-4-8-21(28)22(20)25(36)33-11-13-34(14-12-33)26-30-16-19(23(32-26)31-18-9-10-18)24(35)29-15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,29,35)(H,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 186n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescence ...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50350949
PNG
(CHEMBL1818214)
Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
Show InChI InChI=1S/C26H26F2N6O2/c27-20-7-4-8-21(28)22(20)25(36)33-11-13-34(14-12-33)26-30-16-19(23(32-26)31-18-9-10-18)24(35)29-15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,29,35)(H,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 27n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as calcium influx measured at every 1 second for 60 seconds by fluorescenc...


Bioorg Med Chem Lett 21: 4857-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.035
BindingDB Entry DOI: 10.7270/Q21Z44S2
More data for this
Ligand-Target Pair