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BDBM50147075 1-(4-Chloro-benzyl)-3-isoquinolin-5-yl-urea::CHEMBL102010

SMILES: Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1

InChI Key: InChIKey=XEKDGMQDHSZCEB-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50147075   
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))
BDBM50147075
PNG
(1-(4-Chloro-benzyl)-3-isoquinolin-5-yl-urea | CHEM...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-4-12(5-7-14)10-20-17(22)21-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H2,20,21,22)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
31n/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))
BDBM50147075
PNG
(1-(4-Chloro-benzyl)-3-isoquinolin-5-yl-urea | CHEM...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-4-12(5-7-14)10-20-17(22)21-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/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