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BDBM173678 US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)pyridin-3-yl)cyclohexyl)methyl)-3-methoxy-2-methylbenzamide::US9649308, N-((4,4-difluoro-1-(6-(trifluoromethyl)pyridin-3-yl)cyclohexyl)methyl)-3-methoxy-2-methylbenzamide

SMILES: COc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1C

InChI Key: InChIKey=RPAIGIKQGNSHLG-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 = 173678   
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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173678
PNG
(US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)...)
Show SMILES COc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1C
Show InChI InChI=1S/C22H23F5N2O2/c1-14-16(4-3-5-17(14)31-2)19(30)29-13-20(8-10-21(23,24)11-9-20)15-6-7-18(28-12-15)22(25,26)27/h3-7,12H,8-11,13H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9649308 (2017)


BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173678
PNG
(US9102591, N-((4,4-difluoro-1-(6-(trifluoromethyl)...)
Show SMILES COc1cccc(C(=O)NCC2(CCC(F)(F)CC2)c2ccc(nc2)C(F)(F)F)c1C
Show InChI InChI=1S/C22H23F5N2O2/c1-14-16(4-3-5-17(14)31-2)19(30)29-13-20(8-10-21(23,24)11-9-20)15-6-7-18(28-12-15)22(25,26)27/h3-7,12H,8-11,13H2,1-2H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/a7.425



H. Lundbeck A/S

US Patent


Assay Description
Fluorescent Imaging Plate Reader (FLIPR) assay: Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), N...


US Patent US9102591 (2015)


BindingDB Entry DOI: 10.7270/Q2028Q92
More data for this
Ligand-Target Pair