BindingDB logo
myBDB logout

BDBM245005 US9422293, 242::US9738649, Example 242

SMILES: FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC(F)(F)CC2)cc1

InChI Key: InChIKey=ZQORPYGITWQKFF-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 = 245005   
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))
BDBM245005
PNG
(US9422293, 242 | US9738649, Example 242)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C26H24F8N6/c27-24(28)9-14-40(15-10-24)23-37-20-8-13-39(22-19(26(32,33)34)2-1-11-35-22)12-7-18(20)21(38-23)36-17-5-3-16(4-6-17)25(29,30)31/h1-6,11H,7-10,12-15H2,(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM245005
PNG
(US9422293, 242 | US9738649, Example 242)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C26H24F8N6/c27-24(28)9-14-40(15-10-24)23-37-20-8-13-39(22-19(26(32,33)34)2-1-11-35-22)12-7-18(20)21(38-23)36-17-5-3-16(4-6-17)25(29,30)31/h1-6,11H,7-10,12-15H2,(H,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM245005
PNG
(US9422293, 242 | US9738649, Example 242)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C26H24F8N6/c27-24(28)9-14-40(15-10-24)23-37-20-8-13-39(22-19(26(32,33)34)2-1-11-35-22)12-7-18(20)21(38-23)36-17-5-3-16(4-6-17)25(29,30)31/h1-6,11H,7-10,12-15H2,(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/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)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM245005
PNG
(US9422293, 242 | US9738649, Example 242)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCC(F)(F)CC2)cc1
Show InChI InChI=1S/C26H24F8N6/c27-24(28)9-14-40(15-10-24)23-37-20-8-13-39(22-19(26(32,33)34)2-1-11-35-22)12-7-18(20)21(38-23)36-17-5-3-16(4-6-17)25(29,30)31/h1-6,11H,7-10,12-15H2,(H,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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