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SMILES: CC(C)(C)c1ccc(NC(=O)N2CCC3(CN(C3=O)c3ccccc3)CC2)cc1

InChI Key: InChIKey=MYYKJFAAUPAHBF-UHFFFAOYSA-N

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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 = 50255471   
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 V member 1


(Homo sapiens (Human))
BDBM50255471
PNG
(CHEMBL518965 | N-(4-tert-butylphenyl)-1-oxo-2-phen...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCC3(CN(C3=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-23(2,3)18-9-11-19(12-10-18)25-22(29)26-15-13-24(14-16-26)17-27(21(24)28)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,25,29)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 expressed in HEK293 cells assessed as inhibition of PMA-induced activation by FLIPR assay


Bioorg Med Chem Lett 19: 783-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.024
BindingDB Entry DOI: 10.7270/Q2F47P1D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50255471
PNG
(CHEMBL518965 | N-(4-tert-butylphenyl)-1-oxo-2-phen...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCC3(CN(C3=O)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-23(2,3)18-9-11-19(12-10-18)25-22(29)26-15-13-24(14-16-26)17-27(21(24)28)20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 (unknown origin) expressed in HEK293 cells assessed as inhibition of capsaicin-induced activation by FLIPR assay


Bioorg Med Chem Lett 19: 783-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.024
BindingDB Entry DOI: 10.7270/Q2F47P1D
More data for this
Ligand-Target Pair