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BDBM50056435 CHEMBL3326574

SMILES: CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@H](O)Cc23)c2ccc(F)cc2O1

InChI Key: InChIKey=QICYXTGTQQCQCA-HNAYVOBHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50056435   
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))
BDBM50056435
PNG
(CHEMBL3326574)
Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@H](O)Cc23)c2ccc(F)cc2O1 |r|
Show InChI InChI=1S/C22H25FN2O3/c1-22(2)12-19(16-9-7-14(23)10-20(16)28-22)25-21(27)24-18-5-3-4-13-6-8-15(26)11-17(13)18/h3-5,7,9-10,15,19,26H,6,8,11-12H2,1-2H3,(H2,24,25,27)/t15-,19+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



AbbVie Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay


J Med Chem 57: 7412-24 (2014)


Article DOI: 10.1021/jm500916t
BindingDB Entry DOI: 10.7270/Q2Z3219J
More data for this
Ligand-Target Pair