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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 176561   
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))
BDBM176561
PNG
(US9120756, 23)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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US Patent
0.300 -56.5n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM176561
PNG
(US9120756, 23)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 6 ...


Bioorg Med Chem Lett 27: 4383-4388 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.020
BindingDB Entry DOI: 10.7270/Q2CF9SPD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM176561
PNG
(US9120756, 23)
Show SMILES C[C@H](C(=O)NCc1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H19ClF4N4O3S/c1-12(13-3-8-18(17(23)9-13)29-34(2,32)33)20(31)27-11-16-10-19(21(24,25)26)28-30(16)15-6-4-14(22)5-7-15/h3-10,12,29H,11H2,1-2H3,(H,27,31)/t12-/m0/s1
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US Patent
0.400n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the rat-species vanilloid receptor 1 (VR1/TRPV1) can be determined using the f...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair