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BDBM50223331 1-(1-benzyl-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(isoquinolin-5-yl)urea::CHEMBL250558

SMILES: Brc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12

InChI Key: InChIKey=GRMQPDUTUVTBPO-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 = 50223331   
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))
BDBM50223331
PNG
(1-(1-benzyl-6-bromo-1,2,3,4-tetrahydronaphthalen-2...)
Show SMILES Brc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,13.20|
Show InChI InChI=1S/C27H24BrN3O/c28-21-10-11-22-19(16-21)9-12-26(24(22)15-18-5-2-1-3-6-18)31-27(32)30-25-8-4-7-20-17-29-14-13-23(20)25/h1-8,10-11,13-14,16-17,24,26H,9,12,15H2,(H2,30,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50223331
PNG
(1-(1-benzyl-6-bromo-1,2,3,4-tetrahydronaphthalen-2...)
Show SMILES Brc1ccc2C(Cc3ccccc3)C(CCc2c1)NC(=O)Nc1cccc2cnccc12 |w:5.5,13.20|
Show InChI InChI=1S/C27H24BrN3O/c28-21-10-11-22-19(16-21)9-12-26(24(22)15-18-5-2-1-3-6-18)31-27(32)30-25-8-4-7-20-17-29-14-13-23(20)25/h1-8,10-11,13-14,16-17,24,26H,9,12,15H2,(H2,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium by FLIPR method


Bioorg Med Chem Lett 17: 6160-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.036
BindingDB Entry DOI: 10.7270/Q28G8KFT
More data for this
Ligand-Target Pair