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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50144664'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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


(Rattus norvegicus (rat))
BDBM50144664
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H35NO6S/c1-18-7-8-21(13-19(18)2)14-22(17-33-25(29)26(3,4)5)16-32-24(28)15-20-9-11-23(12-10-20)27-34(6,30)31/h7-13,22,27H,14-17H2,1-6H3
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.98E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Binding affinity towards rat vanilloid receptor subtype 1 expressed in CHO cells by [3H]-RTX displacement.


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50144664
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(COC(=O)Cc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H35NO6S/c1-18-7-8-21(13-19(18)2)14-22(17-33-25(29)26(3,4)5)16-32-24(28)15-20-9-11-23(12-10-20)27-34(6,30)31/h7-13,22,27H,14-17H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist effect against 50 nM capsaicin-induced 45 [Ca2+] influx in vanilloid recptor expressing CHO cells


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair