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BDBM50056431 CHEMBL3326912

SMILES: Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc(F)cc2cn1

InChI Key: InChIKey=VKHQXDJUMQQIOE-LJQANCHMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50056431   
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))
BDBM50056431
PNG
(CHEMBL3326912)
Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cc(F)cc2cn1 |r|
Show InChI InChI=1S/C22H19ClF3N3O2/c1-12-4-17-13(9-27-12)5-15(26)7-18(17)28-21(30)29-19-8-22(10-24,11-25)31-20-6-14(23)2-3-16(19)20/h2-7,9,19H,8,10-11H2,1H3,(H2,28,29,30)/t19-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 60n/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