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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM176581'   
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))
BDBM176581
PNG
(US9120756, 129)
Show SMILES CC(C(=O)NCc1cc(nn1NCc1ccccn1)C(F)(F)F)c1ccc(CNS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H24F4N6O3S/c1-14(15-6-7-16(19(23)9-15)11-30-36(2,34)35)21(33)28-13-18-10-20(22(24,25)26)31-32(18)29-12-17-5-3-4-8-27-17/h3-10,14,29-30H,11-13H2,1-2H3,(H,28,33)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
63.6 -42.7n/an/an/an/an/an/a37



Gruenenthal GmbH

US Patent


Assay Description
The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assa...


US Patent US9120756 (2015)


BindingDB Entry DOI: 10.7270/Q26D5RRG
More data for this
Ligand-Target Pair