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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM210896'   
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))
BDBM210896
PNG
(US9273043, A125(e))
Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1nc2ccc(F)cc2s1)c1ncc(cc1F)[C@@H](O)CO |r|
Show InChI InChI=1S/C20H21F2N5O3S/c1-11-9-26(18-14(22)6-12(8-23-18)16(29)10-28)4-5-27(11)20(30)25-19-24-15-3-2-13(21)7-17(15)31-19/h2-3,6-8,11,16,28-29H,4-5,9-10H2,1H3,(H,24,25,30)/t11-,16+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM210896
PNG
(US9273043, A125(e))
Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1nc2ccc(F)cc2s1)c1ncc(cc1F)[C@@H](O)CO |r|
Show InChI InChI=1S/C20H21F2N5O3S/c1-11-9-26(18-14(22)6-12(8-23-18)16(29)10-28)4-5-27(11)20(30)25-19-24-15-3-2-13(21)7-17(15)31-19/h2-3,6-8,11,16,28-29H,4-5,9-10H2,1H3,(H,24,25,30)/t11-,16+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 18.4n/an/an/an/an/a37



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

US Patent


Assay Description
Briefly, hTRPV1/CHO cells were cultured in growth media in a tissue culture dish at 37° C. in a CO2 incubator. On the day of the assay, culture m...


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))
BDBM210896
PNG
(US9273043, A125(e))
Show SMILES C[C@@H]1CN(CCN1C(=O)Nc1nc2ccc(F)cc2s1)c1ncc(cc1F)[C@@H](O)CO |r|
Show InChI InChI=1S/C20H21F2N5O3S/c1-11-9-26(18-14(22)6-12(8-23-18)16(29)10-28)4-5-27(11)20(30)25-19-24-15-3-2-13(21)7-17(15)31-19/h2-3,6-8,11,16,28-29H,4-5,9-10H2,1H3,(H,24,25,30)/t11-,16+/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 23.9n/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