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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 = 'BDBM20466'   
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))
BDBM20466
PNG
(A-784168 | CHEMBL482834 | N-[4-(trifluoromethane)s...)
Show SMILES FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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Article
PubMed
71 -40.8n/an/a 74n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20466
PNG
(A-784168 | CHEMBL482834 | N-[4-(trifluoromethane)s...)
Show SMILES FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR as...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20466
PNG
(A-784168 | CHEMBL482834 | N-[4-(trifluoromethane)s...)
Show SMILES FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/a5.5n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of pH 5.5-induced calcium influx by FLIPR assay


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20466
PNG
(A-784168 | CHEMBL482834 | N-[4-(trifluoromethane)s...)
Show SMILES FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C19H15F6N3O3S/c20-18(21,22)15-2-1-9-26-16(15)28-10-7-12(8-11-28)17(29)27-13-3-5-14(6-4-13)32(30,31)19(23,24)25/h1-7,9H,8,10-11H2,(H,27,29)
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Article
PubMed
n/an/a 2.02E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of N-arachidonoyldopamine-induced calcium influ...


Bioorg Med Chem 16: 8516-25 (2008)


Article DOI: 10.1016/j.bmc.2008.08.005
BindingDB Entry DOI: 10.7270/Q2FX798X
More data for this
Ligand-Target Pair