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SMILES: COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F

InChI Key: InChIKey=MNTIYLGHDULXMR-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 4 hits for monomerid = 244991   
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))
BDBM244991
PNG
(US9422293, 228 | US9738649, Example 228)
Show SMILES COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H25F6N7O/c1-36(12-13-38-2)22-34-18-8-11-37(21-17(23(25,26)27)4-3-9-31-21)10-7-16(18)20(35-22)33-15-5-6-19(32-14-15)24(28,29)30/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,33,34,35)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 90n/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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM244991
PNG
(US9422293, 228 | US9738649, Example 228)
Show SMILES COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H25F6N7O/c1-36(12-13-38-2)22-34-18-8-11-37(21-17(23(25,26)27)4-3-9-31-21)10-7-16(18)20(35-22)33-15-5-6-19(32-14-15)24(28,29)30/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,33,34,35)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/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))
BDBM244991
PNG
(US9422293, 228 | US9738649, Example 228)
Show SMILES COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H25F6N7O/c1-36(12-13-38-2)22-34-18-8-11-37(21-17(23(25,26)27)4-3-9-31-21)10-7-16(18)20(35-22)33-15-5-6-19(32-14-15)24(28,29)30/h3-6,9,14H,7-8,10-13H2,1-2H3,(H,33,34,35)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM244991
PNG
(US9422293, 228 | US9738649, Example 228)
Show SMILES COCCN(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C24H25F6N7O/c1-36(12-13-38-2)22-34-18-8-11-37(21-17(23(25,26)27)4-3-9-31-21)10-7-16(18)20(35-22)33-15-5-6-19(32-14-15)24(28,29)30/h3-6,9,14H,7-8,10-13H2,1-2H3,(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 40n/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