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SMILES: CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2c1cc[nH]c2=O)C(F)(F)F

InChI Key: InChIKey=WNTFLRFKOYJRBM-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 = 50528801   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50528801
PNG
(CHEMBL4448866)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2c1cc[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O2/c1-39(2)31(20-22-7-4-3-5-8-22)14-17-40(18-15-31)28-19-24(32(33,34)35)12-11-23(28)21-37-30(42)38-27-10-6-9-26-25(27)13-16-36-29(26)41/h3-13,16,19H,14-15,17-18,20-21H2,1-2H3,(H,36,41)(H2,37,38,42)
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PC sid
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Article
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105n/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))
BDBM50528801
PNG
(CHEMBL4448866)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2c1cc[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O2/c1-39(2)31(20-22-7-4-3-5-8-22)14-17-40(18-15-31)28-19-24(32(33,34)35)12-11-23(28)21-37-30(42)38-27-10-6-9-26-25(27)13-16-36-29(26)41/h3-13,16,19H,14-15,17-18,20-21H2,1-2H3,(H,36,41)(H2,37,38,42)
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111n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50528801
PNG
(CHEMBL4448866)
Show SMILES CN(C)C1(Cc2ccccc2)CCN(CC1)c1cc(ccc1CNC(=O)Nc1cccc2c1cc[nH]c2=O)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O2/c1-39(2)31(20-22-7-4-3-5-8-22)14-17-40(18-15-31)28-19-24(32(33,34)35)12-11-23(28)21-37-30(42)38-27-10-6-9-26-25(27)13-16-36-29(26)41/h3-13,16,19H,14-15,17-18,20-21H2,1-2H3,(H,36,41)(H2,37,38,42)
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n/an/an/an/a 44n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human TRPV1 expressed in CHO cells assessed as increase in calcium uptake incubated for 5 mins in presence of 45Ca2+ ...


Eur J Med Chem 182: (2019)


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