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BDBM50151112 CHEMBL3770362

SMILES: CCS(=O)(=O)N(Cc1ccccc1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F

InChI Key: InChIKey=RIPPGWQPCSZSKU-UHFFFAOYSA-N

Data: 2 KI

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 = 50151112   
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))
BDBM50151112
PNG
(CHEMBL3770362)
Show SMILES CCS(=O)(=O)N(Cc1ccccc1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C26H28F4N4O5S2/c1-4-41(38,39)34(16-18-8-6-5-7-9-18)24-20(11-13-23(32-24)26(28,29)30)15-31-25(35)17(2)19-10-12-22(21(27)14-19)33-40(3,36)37/h5-14,17,33H,4,15-16H2,1-3H3,(H,31,35)
PDB
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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
12n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced (45)Ca2+ uptake after 5 mins by liquid scintill...


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50151112
PNG
(CHEMBL3770362)
Show SMILES CCS(=O)(=O)N(Cc1ccccc1)c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C26H28F4N4O5S2/c1-4-41(38,39)34(16-18-8-6-5-7-9-18)24-20(11-13-23(32-24)26(28,29)30)15-31-25(35)17(2)19-10-12-22(21(27)14-19)33-40(3,36)37/h5-14,17,33H,4,15-16H2,1-3H3,(H,31,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
38n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis


Bioorg Med Chem 24: 1231-40 (2016)


BindingDB Entry DOI: 10.7270/Q25D8TP7
More data for this
Ligand-Target Pair