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BDBM50312085 4-tert-butylphenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate::CHEMBL1079443

SMILES: CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1

InChI Key: InChIKey=IARQATBJLLWKHZ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50312085   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50312085
PNG
(4-tert-butylphenyl 4-(3-(trifluoromethyl)pyridin-2...)
Show SMILES CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O2/c1-20(2,3)15-6-8-16(9-7-15)29-19(28)27-13-11-26(12-14-27)18-17(21(22,23)24)5-4-10-25-18/h4-10H,11-14H2,1-3H3
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Article
PubMed
n/an/an/an/a>2.50E+4n/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as decrease in intracellular calcium level


Bioorg Med Chem Lett 19: 6806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.033
BindingDB Entry DOI: 10.7270/Q2P55NNT
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50312085
PNG
(4-tert-butylphenyl 4-(3-(trifluoromethyl)pyridin-2...)
Show SMILES CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O2/c1-20(2,3)15-6-8-16(9-7-15)29-19(28)27-13-11-26(12-14-27)18-17(21(22,23)24)5-4-10-25-18/h4-10H,11-14H2,1-3H3
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Article
PubMed
n/an/a 3.01E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated hydrolysis of [3H]AEA in rat brain membrane


Bioorg Med Chem Lett 19: 6806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.033
BindingDB Entry DOI: 10.7270/Q2P55NNT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50312085
PNG
(4-tert-butylphenyl 4-(3-(trifluoromethyl)pyridin-2...)
Show SMILES CC(C)(C)c1ccc(OC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N3O2/c1-20(2,3)15-6-8-16(9-7-15)29-19(28)27-13-11-26(12-14-27)18-17(21(22,23)24)5-4-10-25-18/h4-10H,11-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as decrease in intracellular calcium level


Bioorg Med Chem Lett 19: 6806-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.033
BindingDB Entry DOI: 10.7270/Q2P55NNT
More data for this
Ligand-Target Pair