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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM60943'   
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))
BDBM60943
PNG
(US9273043, BB)
Show SMILES C[C@H](O)[C@@H](O)c1cnc(N2CCN([C@@H](C)C2)C(=O)Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C21H23F2N5O3S/c1-11-10-27(19-15(23)7-13(9-24-19)18(30)12(2)29)5-6-28(11)21(31)26-20-25-16-4-3-14(22)8-17(16)32-20/h3-4,7-9,11-12,18,29-30H,5-6,10H2,1-2H3,(H,25,26,31)/t11-,12-,18+/m0/s1
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PC sid
UniChem
US Patent
n/an/a 63.7n/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))
BDBM60943
PNG
(US9273043, BB)
Show SMILES C[C@H](O)[C@@H](O)c1cnc(N2CCN([C@@H](C)C2)C(=O)Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C21H23F2N5O3S/c1-11-10-27(19-15(23)7-13(9-24-19)18(30)12(2)29)5-6-28(11)21(31)26-20-25-16-4-3-14(22)8-17(16)32-20/h3-4,7-9,11-12,18,29-30H,5-6,10H2,1-2H3,(H,25,26,31)/t11-,12-,18+/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 63.7n/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))
BDBM60943
PNG
(US9273043, BB)
Show SMILES C[C@H](O)[C@@H](O)c1cnc(N2CCN([C@@H](C)C2)C(=O)Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C21H23F2N5O3S/c1-11-10-27(19-15(23)7-13(9-24-19)18(30)12(2)29)5-6-28(11)21(31)26-20-25-16-4-3-14(22)8-17(16)32-20/h3-4,7-9,11-12,18,29-30H,5-6,10H2,1-2H3,(H,25,26,31)/t11-,12-,18+/m0/s1
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PC sid
UniChem
US Patent
n/an/a 490n/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))
BDBM60943
PNG
(US9273043, BB)
Show SMILES C[C@H](O)[C@@H](O)c1cnc(N2CCN([C@@H](C)C2)C(=O)Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
Show InChI InChI=1S/C21H23F2N5O3S/c1-11-10-27(19-15(23)7-13(9-24-19)18(30)12(2)29)5-6-28(11)21(31)26-20-25-16-4-3-14(22)8-17(16)32-20/h3-4,7-9,11-12,18,29-30H,5-6,10H2,1-2H3,(H,25,26,31)/t11-,12-,18+/m0/s1
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 490n/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