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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 = 'BDBM50362788'   
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


(Rattus norvegicus (rat))
BDBM50362788
PNG
(CHEMBL1940214)
Show SMILES C[C@H](C(=O)NCCCc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h7-10,12-13,16,24H,5-6,11H2,1-4H3,(H,23,25)/t16-/m0/s1
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PubMed
33.7n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50362788
PNG
(CHEMBL1940214)
Show SMILES C[C@H](C(=O)NCCCc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h7-10,12-13,16,24H,5-6,11H2,1-4H3,(H,23,25)/t16-/m0/s1
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97n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50362788
PNG
(CHEMBL1940214)
Show SMILES C[C@H](C(=O)NCCCc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h7-10,12-13,16,24H,5-6,11H2,1-4H3,(H,23,25)/t16-/m0/s1
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257n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50362788
PNG
(CHEMBL1940214)
Show SMILES C[C@H](C(=O)NCCCc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14-7-8-17(12-15(14)2)6-5-11-23-21(25)16(3)18-9-10-20(19(22)13-18)24-28(4,26)27/h7-10,12-13,16,24H,5-6,11H2,1-4H3,(H,23,25)/t16-/m0/s1
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Article
PubMed
413n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair