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BDBM335999 US9738649, Example 227

SMILES: CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F

InChI Key: InChIKey=TXCHJDFOCAOBTA-UHFFFAOYSA-N

Data: 2 IC50

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 = 335999   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM335999
PNG
(US9738649, Example 227)
Show SMILES CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H28Cl2F3N7/c1-35(2)13-14-36(3)24-33-21-9-12-37(23-18(25(28,29)30)5-4-10-31-23)11-8-17(21)22(34-24)32-16-6-7-19(26)20(27)15-16/h4-7,10,15H,8-9,11-14H2,1-3H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

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))
BDBM335999
PNG
(US9738649, Example 227)
Show SMILES CN(C)CCN(C)c1nc2CCN(CCc2c(Nc2ccc(Cl)c(Cl)c2)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H28Cl2F3N7/c1-35(2)13-14-36(3)24-33-21-9-12-37(23-18(25(28,29)30)5-4-10-31-23)11-8-17(21)22(34-24)32-16-6-7-19(26)20(27)15-16/h4-7,10,15H,8-9,11-14H2,1-3H3,(H,32,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



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 US9738649 (2017)


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