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BDBM245004 US9422293, 241

SMILES: FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CC(F)(F)C2)cc1

InChI Key: InChIKey=KLZKMSYPGILVPO-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 = 245004   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM245004
PNG
(US9422293, 241)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CC(F)(F)C2)cc1
Show InChI InChI=1S/C24H20F8N6/c25-22(26)12-38(13-22)21-35-18-8-11-37(20-17(24(30,31)32)2-1-9-33-20)10-7-16(18)19(36-21)34-15-5-3-14(4-6-15)23(27,28)29/h1-6,9H,7-8,10-13H2,(H,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 170n/an/an/an/an/an/a



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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM245004
PNG
(US9422293, 241)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CC(F)(F)C2)cc1
Show InChI InChI=1S/C24H20F8N6/c25-22(26)12-38(13-22)21-35-18-8-11-37(20-17(24(30,31)32)2-1-9-33-20)10-7-16(18)19(36-21)34-15-5-3-14(4-6-15)23(27,28)29/h1-6,9H,7-8,10-13H2,(H,34,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/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 US9422293 (2016)


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