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BDBM50273166 2-(3-((2S,6R)-2,6-dimethylmorpholino)propyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine::CHEMBL446258

SMILES: C[C@H]1CN(CCCc2nc(Nc3ccc(cc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1

InChI Key: InChIKey=SZVWUSQUZGMZCK-KDURUIRLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50273166   
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))
BDBM50273166
PNG
(2-(3-((2S,6R)-2,6-dimethylmorpholino)propyl)-N-(4-...)
Show SMILES C[C@H]1CN(CCCc2nc(Nc3ccc(cc3)C(F)(F)F)c3ccc(cc3n2)-c2ncccc2C(F)(F)F)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C30H29F6N5O/c1-18-16-41(17-19(2)42-18)14-4-6-26-39-25-15-20(27-24(30(34,35)36)5-3-13-37-27)7-12-23(25)28(40-26)38-22-10-8-21(9-11-22)29(31,32)33/h3,5,7-13,15,18-19H,4,6,14,16-17H2,1-2H3,(H,38,39,40)/t18-,19+
PDB
MMDB

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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


Bioorg Med Chem Lett 18: 4573-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair