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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 = 'BDBM210907'   
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))
BDBM210907
PNG
(US9273043, B122(p))
Show SMILES C[C@@H](O)[C@H](O)c1cnc(N2CCN(C[C@@H]2C)C(=O)Nc2nc3ccccc3s2)c(F)c1 |r|
Show InChI InChI=1S/C21H24FN5O3S/c1-12-11-26(21(30)25-20-24-16-5-3-4-6-17(16)31-20)7-8-27(12)19-15(22)9-14(10-23-19)18(29)13(2)28/h3-6,9-10,12-13,18,28-29H,7-8,11H2,1-2H3,(H,24,25,30)/t12-,13+,18-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 506n/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
One day prior to assay, TRPV1/CHO cells were seeded in 96-well clear-bottom black plates (20,000 cells/well) in growth media. On the day of the exper...


US Patent US9273043 (2016)


BindingDB Entry DOI: 10.7270/Q2D7998G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM210907
PNG
(US9273043, B122(p))
Show SMILES C[C@@H](O)[C@H](O)c1cnc(N2CCN(C[C@@H]2C)C(=O)Nc2nc3ccccc3s2)c(F)c1 |r|
Show InChI InChI=1S/C21H24FN5O3S/c1-12-11-26(21(30)25-20-24-16-5-3-4-6-17(16)31-20)7-8-27(12)19-15(22)9-14(10-23-19)18(29)13(2)28/h3-6,9-10,12-13,18,28-29H,7-8,11H2,1-2H3,(H,24,25,30)/t12-,13+,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02E+3n/an/an/an/a7.237



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
pH dependent Ca2+ responses in TRPV1/CHO cells cultured in a 96-well plate were determined (see, e.g., FIG. 2 of U.S. Patent Application Publication ...


US Patent US9273043 (2016)


BindingDB Entry DOI: 10.7270/Q2D7998G
More data for this
Ligand-Target Pair