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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 = 'BDBM127313'   
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


(Homo sapiens (Human))
BDBM127313
PNG
(US8791268, 2)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H22Br2F3N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30)
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MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
40.6n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM127313
PNG
(US8791268, 2)
Show SMILES CC1CCN(CC1)c1nc(ccc1CNC(=O)Cc1cc(Br)cc(Br)c1)C(F)(F)F
Show InChI InChI=1S/C21H22Br2F3N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
60.1n/an/an/an/an/an/an/an/a



Gruenenthal GmbH

US Patent


Assay Description
The FLIPR protocol consists of two substance additions. Initially, the compounds to be tested (10 uM) are pipeted onto the cells and the Ca2+ influx ...


US Patent US8791268 (2014)


BindingDB Entry DOI: 10.7270/Q2BV7F9D
More data for this
Ligand-Target Pair