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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 = 'BDBM236160'   
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))
BDBM236160
PNG
(US9365563, T3 | US9878991, Compound T3)
Show SMILES OC[C@H](O)c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19Cl2F4N3O3/c21-14-8-12(1-2-13(14)20(24,25)26)28-18(32)29-5-3-19(23,4-6-29)17-15(22)7-11(9-27-17)16(31)10-30/h1-2,7-9,16,30-31H,3-6,10H2,(H,28,32)/t16-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 12.9n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Bect...


US Patent US9365563 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X1D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM236160
PNG
(US9365563, T3 | US9878991, Compound T3)
Show SMILES OC[C@H](O)c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19Cl2F4N3O3/c21-14-8-12(1-2-13(14)20(24,25)26)28-18(32)29-5-3-19(23,4-6-29)17-15(22)7-11(9-27-17)16(31)10-30/h1-2,7-9,16,30-31H,3-6,10H2,(H,28,32)/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12.9n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Two days prior to performing this assay, cells are seeded on poly-D-lysine-coated 96-well clear-bottom black plates (commercially available from Bect...


US Patent US9878991 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00CG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM236160
PNG
(US9365563, T3 | US9878991, Compound T3)
Show SMILES OC[C@H](O)c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19Cl2F4N3O3/c21-14-8-12(1-2-13(14)20(24,25)26)28-18(32)29-5-3-19(23,4-6-29)17-15(22)7-11(9-27-17)16(31)10-30/h1-2,7-9,16,30-31H,3-6,10H2,(H,28,32)/t16-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 23.8n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth med...


US Patent US9878991 (2018)


BindingDB Entry DOI: 10.7270/Q2TF00CG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM236160
PNG
(US9365563, T3 | US9878991, Compound T3)
Show SMILES OC[C@H](O)c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19Cl2F4N3O3/c21-14-8-12(1-2-13(14)20(24,25)26)28-18(32)29-5-3-19(23,4-6-29)17-15(22)7-11(9-27-17)16(31)10-30/h1-2,7-9,16,30-31H,3-6,10H2,(H,28,32)/t16-/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 23.8n/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Two days prior to performing this assay, cells are seeded in poly-D-lysine-coated 96-well clear-bottom black plates (50,000 cells/well) in growth med...


US Patent US9365563 (2016)


BindingDB Entry DOI: 10.7270/Q2P26X1D
More data for this
Ligand-Target Pair