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BDBM50147083 1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea::CHEMBL323134

SMILES: CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1

InChI Key: InChIKey=RSZMNPKYJGGAMY-UHFFFAOYSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50147083   
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))
BDBM50147083
PNG
(1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
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PC cid
PC sid
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Similars

Article
PubMed
0.300n/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/j.bmcl.2004.04.038
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))
BDBM50147083
PNG
(1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
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PC cid
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UniChem

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Article
PubMed
14n/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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147083
PNG
(1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/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/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair