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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50151116'   
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))
BDBM50151116
PNG
(CHEMBL3771332)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(C)(=O)=O)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H26F4N4O5S2/c1-16(18-9-11-21(20(26)13-18)32-39(2,35)36)24(34)30-14-19-10-12-22(25(27,28)29)31-23(19)33(40(3,37)38)15-17-7-5-4-6-8-17/h4-13,16,32H,14-15H2,1-3H3,(H,30,34)
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Article
PubMed
25n/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 (45)Ca2+ uptake after 5 mins by liquid scintill...


Bioorg Med Chem 24: 1231-40 (2016)


Article DOI: 10.1016/j.bmc.2016.01.051
BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50151116
PNG
(CHEMBL3771332)
Show SMILES CC(C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(C)(=O)=O)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H26F4N4O5S2/c1-16(18-9-11-21(20(26)13-18)32-39(2,35)36)24(34)30-14-19-10-12-22(25(27,28)29)31-23(19)33(40(3,37)38)15-17-7-5-4-6-8-17/h4-13,16,32H,14-15H2,1-3H3,(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
101n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


Article DOI: 10.1016/j.bmc.2016.01.051
BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair