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SMILES: CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)(C)C)cc1

InChI Key: InChIKey=HINTVVWGGAAVLH-UHFFFAOYSA-N

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 = 335908   
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


(Rattus norvegicus (rat))
BDBM335908
PNG
(US9738649, Example 138)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)(C)C)cc1
Show InChI InChI=1S/C28H34F3N5/c1-26(2,3)18-9-11-19(12-10-18)33-23-20-13-16-36(24-21(28(29,30)31)8-7-15-32-24)17-14-22(20)34-25(35-23)27(4,5)6/h7-12,15H,13-14,16-17H2,1-6H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
The assay was performed as described above, using HEK293 cells transfected with rat TRPV1 (rTRPV1/HEK293). These cells had a geneticin selection mark...


US Patent US9738649 (2017)


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))
BDBM335908
PNG
(US9738649, Example 138)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)(C)C)cc1
Show InChI InChI=1S/C28H34F3N5/c1-26(2,3)18-9-11-19(12-10-18)33-23-20-13-16-36(24-21(28(29,30)31)8-7-15-32-24)17-14-22(20)34-25(35-23)27(4,5)6/h7-12,15H,13-14,16-17H2,1-6H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/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)


BindingDB Entry DOI: 10.7270/Q2G73GVH
More data for this
Ligand-Target Pair