BindingDB logo
myBDB logout

BDBM173625 US9102591, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2-methoxy-benzamide::US9649308, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-2-methoxy-benzamide

SMILES: COc1ccccc1C(=O)NCC1(CCOCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=DTBBVBPUGKLTPV-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 = 173625   
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))
BDBM173625
PNG
(US9102591, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran...)
Show SMILES COc1ccccc1C(=O)NCC1(CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO3/c1-24-18-5-3-2-4-17(18)19(23)22-14-20(10-12-25-13-11-20)15-6-8-16(21)9-7-15/h2-9H,10-14H2,1H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 620n/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)


Article DOI: 10.1016/j.bmcl.2006.10.057
BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173625
PNG
(US9102591, N-[4-(4-Chloro-phenyl)-tetrahydro-pyran...)
Show SMILES COc1ccccc1C(=O)NCC1(CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO3/c1-24-18-5-3-2-4-17(18)19(23)22-14-20(10-12-25-13-11-20)15-6-8-16(21)9-7-15/h2-9H,10-14H2,1H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 620n/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