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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 = 'BDBM50528796'   
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))
BDBM50528796
PNG
(CHEMBL4459611)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc2cccnc2c1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O/c1-39(2)31(21-23-7-4-3-5-8-23)14-17-40(18-15-31)29-19-26(32(33,34)35)12-10-25(29)22-37-30(41)38-27-13-11-24-9-6-16-36-28(24)20-27/h3-13,16,19-20H,14-15,17-18,21-22H2,1-2H3,(H2,37,38,41)
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PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50528796
PNG
(CHEMBL4459611)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc2cccnc2c1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O/c1-39(2)31(21-23-7-4-3-5-8-23)14-17-40(18-15-31)29-19-26(32(33,34)35)12-10-25(29)22-37-30(41)38-27-13-11-24-9-6-16-36-28(24)20-27/h3-13,16,19-20H,14-15,17-18,21-22H2,1-2H3,(H2,37,38,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 42n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in CHO cells assessed as as inhibition of capsaicin-induced calcium uptake incubated for 5 m...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
BindingDB Entry DOI: 10.7270/Q2765JR7
More data for this
Ligand-Target Pair