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BDBM50434941 CHEMBL2385426

SMILES: CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F

InChI Key: InChIKey=AWDQHTZYTOLTKR-HNNXBMFYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50434941   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50434941
PNG
(CHEMBL2385426)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F4N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(25,26)27)14-28-21(31)15(2)16-8-10-19(18(24)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)/t15-/m0/s1
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Article
PubMed
0.400n/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


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434941
PNG
(CHEMBL2385426)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F4N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(25,26)27)14-28-21(31)15(2)16-8-10-19(18(24)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)/t15-/m0/s1
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Article
PubMed
0.5n/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


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434941
PNG
(CHEMBL2385426)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F4N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(25,26)27)14-28-21(31)15(2)16-8-10-19(18(24)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)/t15-/m0/s1
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Article
PubMed
n/an/a 12n/an/an/an/a6.0n/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH 6 to 6.3-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50434941
PNG
(CHEMBL2385426)
Show SMILES CCCCCCOc1nc(ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H29F4N3O4S/c1-4-5-6-7-12-34-22-17(9-11-20(29-22)23(25,26)27)14-28-21(31)15(2)16-8-10-19(18(24)13-16)30-35(3,32)33/h8-11,13,15,30H,4-7,12,14H2,1-3H3,(H,28,31)/t15-/m0/s1
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Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/a 30n/an/an/an/a6.0n/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of pH 6 to 6.3-induced activity by FLIPR assay


Eur J Med Chem 64: 589-602 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.003
BindingDB Entry DOI: 10.7270/Q2BZ67FC
More data for this
Ligand-Target Pair