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SMILES: Cc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F

InChI Key: InChIKey=BSAKLRBKOCCQHQ-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 = 244810   
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))
BDBM244810
PNG
(US9422293, 15 | US9738649, Example 15)
Show SMILES Cc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H28F3N5/c1-16-30-21-12-15-33(23-20(25(26,27)28)6-5-13-29-23)14-11-19(21)22(31-16)32-18-9-7-17(8-10-18)24(2,3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,30,31,32)
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PC sid
UniChem
US Patent
n/an/a 82n/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))
BDBM244810
PNG
(US9422293, 15 | US9738649, Example 15)
Show SMILES Cc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H28F3N5/c1-16-30-21-12-15-33(23-20(25(26,27)28)6-5-13-29-23)14-11-19(21)22(31-16)32-18-9-7-17(8-10-18)24(2,3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,30,31,32)
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PC sid
UniChem
US Patent
n/an/a 46n/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))
BDBM244810
PNG
(US9422293, 15 | US9738649, Example 15)
Show SMILES Cc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H28F3N5/c1-16-30-21-12-15-33(23-20(25(26,27)28)6-5-13-29-23)14-11-19(21)22(31-16)32-18-9-7-17(8-10-18)24(2,3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,30,31,32)
PDB
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC sid
UniChem
US Patent
n/an/a 82n/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))
BDBM244810
PNG
(US9422293, 15 | US9738649, Example 15)
Show SMILES Cc1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)(C)C)n1)c1ncccc1C(F)(F)F
Show InChI InChI=1S/C25H28F3N5/c1-16-30-21-12-15-33(23-20(25(26,27)28)6-5-13-29-23)14-11-19(21)22(31-16)32-18-9-7-17(8-10-18)24(2,3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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