BindingDB logo
myBDB logout

BDBM244835 US9422293, 47::US9738649, Example 47

SMILES: CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1

InChI Key: InChIKey=RVYCNNKDLLIFOW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 244835   
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


(Homo sapiens (Human))
BDBM244835
PNG
(US9422293, 47 | US9738649, Example 47)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,3)19-6-8-20(9-7-19)33-24-21-10-13-36(25-22(28(29,30)31)5-4-12-32-25)14-11-23(21)34-26(35-24)37-15-17-38-18-16-37/h4-9,12H,10-11,13-18H2,1-3H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM244835
PNG
(US9422293, 47 | US9738649, Example 47)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,3)19-6-8-20(9-7-19)33-24-21-10-13-36(25-22(28(29,30)31)5-4-12-32-25)14-11-23(21)34-26(35-24)37-15-17-38-18-16-37/h4-9,12H,10-11,13-18H2,1-3H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 23n/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)


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))
BDBM244835
PNG
(US9422293, 47 | US9738649, Example 47)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,3)19-6-8-20(9-7-19)33-24-21-10-13-36(25-22(28(29,30)31)5-4-12-32-25)14-11-23(21)34-26(35-24)37-15-17-38-18-16-37/h4-9,12H,10-11,13-18H2,1-3H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 6.80n/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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM244835
PNG
(US9422293, 47 | US9738649, Example 47)
Show SMILES CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCOCC2)cc1
Show InChI InChI=1S/C28H33F3N6O/c1-27(2,3)19-6-8-20(9-7-19)33-24-21-10-13-36(25-22(28(29,30)31)5-4-12-32-25)14-11-23(21)34-26(35-24)37-15-17-38-18-16-37/h4-9,12H,10-11,13-18H2,1-3H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


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


US Patent US9422293 (2016)


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