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BDBM50454331 CHEMBL4212880

SMILES: CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1

InChI Key: InChIKey=CGYCDNLQFGNCEV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454331   
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))
BDBM50454331
PNG
(CHEMBL4212880)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C31H32N4O2/c1-31(2,3)23-13-15-24(16-14-23)32-30(37)35-19-17-34(18-20-35)29(36)26-21-28(22-9-5-4-6-10-22)33-27-12-8-7-11-25(26)27/h4-16,21H,17-20H2,1-3H3,(H,32,37)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced intracellular calcium level preincubated for 2.5 mins followed by caps...


Bioorg Med Chem 26: 845-854 (2018)


Article DOI: 10.1016/j.bmc.2017.12.048
BindingDB Entry DOI: 10.7270/Q27S7RDV
More data for this
Ligand-Target Pair