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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 = 'BDBM244988'   
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))
BDBM244988
PNG
(US9422293, 224 | US9738649, Example 224)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCCC2)cc1Cl
Show InChI InChI=1S/C27H27ClF6N6/c28-21-16-17(7-8-19(21)26(29,30)31)36-23-18-9-14-39(24-20(27(32,33)34)6-5-11-35-24)15-10-22(18)37-25(38-23)40-12-3-1-2-4-13-40/h5-8,11,16H,1-4,9-10,12-15H2,(H,36,37,38)
PDB
MMDB

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B.MOAD
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PC cid
PC sid
UniChem
Article
US Patent
n/an/a 10n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...


US Patent US9738649 (2017)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM244988
PNG
(US9422293, 224 | US9738649, Example 224)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCCC2)cc1Cl
Show InChI InChI=1S/C27H27ClF6N6/c28-21-16-17(7-8-19(21)26(29,30)31)36-23-18-9-14-39(24-20(27(32,33)34)6-5-11-35-24)15-10-22(18)37-25(38-23)40-12-3-1-2-4-13-40/h5-8,11,16H,1-4,9-10,12-15H2,(H,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 cells were transfected with human TRPV1 cloned in pcDNA3.1zeo(+) using the Effectene non-liposomal lipid based transfection kit (Qiagen) (hTRP...


US Patent US9422293 (2016)


BindingDB Entry DOI: 10.7270/Q2P55MD8
More data for this
Ligand-Target Pair