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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50255521'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50255521
PNG
((S)-N-(4-isopropylphenyl)-1-oxo-2,3-diphenyl-2,7-d...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)/t26-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 43n/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))
BDBM50255521
PNG
((S)-N-(4-isopropylphenyl)-1-oxo-2,3-diphenyl-2,7-d...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C29H31N3O2/c1-21(2)22-13-15-24(16-14-22)30-28(34)31-19-17-29(18-20-31)26(23-9-5-3-6-10-23)32(27(29)33)25-11-7-4-8-12-25/h3-16,21,26H,17-20H2,1-2H3,(H,30,34)/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 81n/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