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BDBM50398485 CHEMBL2177439

SMILES: CC(C(=O)NCc1ccc(nc1N1CCC(=CC1)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1

InChI Key: InChIKey=IYQFCGUDRHCJNH-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50398485   
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))
BDBM50398485
PNG
(CHEMBL2177439)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(=CC1)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |c:16|
Show InChI InChI=1S/C28H27F5N4O3S/c1-17(20-5-9-24(23(30)15-20)36-41(2,39)40)27(38)34-16-21-6-10-25(28(31,32)33)35-26(21)37-13-11-19(12-14-37)18-3-7-22(29)8-4-18/h3-11,15,17,36H,12-14,16H2,1-2H3,(H,34,38)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2.40n/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))
BDBM50398485
PNG
(CHEMBL2177439)
Show SMILES CC(C(=O)NCc1ccc(nc1N1CCC(=CC1)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |c:16|
Show InChI InChI=1S/C28H27F5N4O3S/c1-17(20-5-9-24(23(30)15-20)36-41(2,39)40)27(38)34-16-21-6-10-25(28(31,32)33)35-26(21)37-13-11-19(12-14-37)18-3-7-22(29)8-4-18/h3-11,15,17,36H,12-14,16H2,1-2H3,(H,34,38)
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 159n/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