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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 = 'BDBM50398505'   
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))
BDBM50398505
PNG
(CHEMBL2178071)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC[C@H]1C(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C26H32F4N4O5S/c1-15(16-8-10-19(18(27)13-16)33-40(5,37)38)23(35)31-14-17-9-11-21(26(28,29)30)32-22(17)34-12-6-7-20(34)24(36)39-25(2,3)4/h8-11,13,15,20,33H,6-7,12,14H2,1-5H3,(H,31,35)/t15-,20-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50398505
PNG
(CHEMBL2178071)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CCC[C@H]1C(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C26H32F4N4O5S/c1-15(16-8-10-19(18(27)13-16)33-40(5,37)38)23(35)31-14-17-9-11-21(26(28,29)30)32-22(17)34-12-6-7-20(34)24(36)39-25(2,3)4/h8-11,13,15,20,33H,6-7,12,14H2,1-5H3,(H,31,35)/t15-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 209n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH-induced activity by FLIPR assay


J Med Chem 55: 8392-408 (2012)


Article DOI: 10.1021/jm300780p
BindingDB Entry DOI: 10.7270/Q2TX3GH1
More data for this
Ligand-Target Pair