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BDBM50398504 CHEMBL2178072

SMILES: C[C@H](C(=O)NCc1ccc(nc1N1CC[C@H](C1)OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1

InChI Key: InChIKey=YFBLKKGWAFVLFT-PGRDOPGGSA-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 = 50398504   
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))
BDBM50398504
PNG
(CHEMBL2178072)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CC[C@H](C1)OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C28H30F4N4O4S/c1-18(20-8-10-24(23(29)14-20)35-41(2,38)39)27(37)33-15-21-9-11-25(28(30,31)32)34-26(21)36-13-12-22(16-36)40-17-19-6-4-3-5-7-19/h3-11,14,18,22,35H,12-13,15-17H2,1-2H3,(H,33,37)/t18-,22+/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
1.40n/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))
BDBM50398504
PNG
(CHEMBL2178072)
Show SMILES C[C@H](C(=O)NCc1ccc(nc1N1CC[C@H](C1)OCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C28H30F4N4O4S/c1-18(20-8-10-24(23(29)14-20)35-41(2,38)39)27(37)33-15-21-9-11-25(28(30,31)32)34-26(21)36-13-12-22(16-36)40-17-19-6-4-3-5-7-19/h3-11,14,18,22,35H,12-13,15-17H2,1-2H3,(H,33,37)/t18-,22+/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 50n/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