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BDBM20334 1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea::1-isoquinolin-5-yl-3-{[4-(trifluoromethyl)phenyl]methyl}urea::A-425619::CHEMBL104028::JMC48744 Compound 14a

SMILES: FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1

InChI Key: InChIKey=SJGVXVZUSQLLJB-UHFFFAOYSA-N

Data: 3 KI  6 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 20334   
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))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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PubMed
n/an/an/an/a 4n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


Bioorg Med Chem Lett 17: 3894-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.105
BindingDB Entry DOI: 10.7270/Q2NV9GH2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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PubMed
n/an/an/an/a 2.10n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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47 -9.99n/an/a 11n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/an/an/a 24n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 48: 744-52 (2005)


Article DOI: 10.1021/jm0492958
BindingDB Entry DOI: 10.7270/Q2J38QT3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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PubMed
n/an/an/an/a 4n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 48: 744-52 (2005)


Article DOI: 10.1021/jm0492958
BindingDB Entry DOI: 10.7270/Q2J38QT3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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18n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced effect by FLIPR assay


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of calcium influx


Bioorg Med Chem Lett 21: 1338-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.056
BindingDB Entry DOI: 10.7270/Q20K28W6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of acid-induced receptor activation by FLIPR assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as blockade of capsaicin-induced receptor activation by FLIPR assay


J Med Chem 50: 2589-96 (2007)


Article DOI: 10.1021/jm060637e
BindingDB Entry DOI: 10.7270/Q269737M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/s0960-894x(04)00533-5
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/s0960-894x(04)00533-5
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair