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SMILES: CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(CO)c(F)c1)C(F)(F)F

InChI Key: InChIKey=FUYXJJVZAWSEPB-UHFFFAOYSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50528805   
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))
BDBM50528805
PNG
(CHEMBL4555508)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(CO)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H34F4N4O2/c1-37(2)29(18-21-6-4-3-5-7-21)12-14-38(15-13-29)27-16-24(30(32,33)34)10-8-22(27)19-35-28(40)36-25-11-9-23(20-39)26(31)17-25/h3-11,16-17,39H,12-15,18-20H2,1-2H3,(H2,35,36,40)
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PC sid
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28n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from recombinant human TRPV1 expressed in CHO cells incubated for 60 mins by liquid scintillation counter


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528805
PNG
(CHEMBL4555508)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(CO)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H34F4N4O2/c1-37(2)29(18-21-6-4-3-5-7-21)12-14-38(15-13-29)27-16-24(30(32,33)34)10-8-22(27)19-35-28(40)36-25-11-9-23(20-39)26(31)17-25/h3-11,16-17,39H,12-15,18-20H2,1-2H3,(H2,35,36,40)
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240n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from full length human MOR expressed in chem5 cells incubated for 60 mins by liquid scintillation counter


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50528805
PNG
(CHEMBL4555508)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1ccc(CO)c(F)c1)C(F)(F)F
Show InChI InChI=1S/C30H34F4N4O2/c1-37(2)29(18-21-6-4-3-5-7-21)12-14-38(15-13-29)27-16-24(30(32,33)34)10-8-22(27)19-35-28(40)36-25-11-9-23(20-39)26(31)17-25/h3-11,16-17,39H,12-15,18-20H2,1-2H3,(H2,35,36,40)
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n/an/an/an/a 81n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in CHO cells assessed as as inhibition of capsaicin-induced calcium uptake incubated for 5 m...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111634
More data for this
Ligand-Target Pair