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BDBM242040 US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piperidyl)-2-(4-methoxyphenyl)ethyl]benzamide::US9593105, 41

SMILES: COc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1

InChI Key: InChIKey=ZHWZORSCGOYKNK-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 = 242040   
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))
BDBM242040
PNG
(US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piper...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c1-29-15-7-5-14(6-8-15)18(27-11-9-21(24,25)10-12-27)13-26-20(28)16-3-2-4-17(22)19(16)23/h2-8,18H,9-13H2,1H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


Assay Description
Cell culture: 293 HEK cells, stably transfected with plasmids capable of expressing human P2X7 receptor, were cultured by standard methods. Cells wer...


US Patent US9593105 (2017)


BindingDB Entry DOI: 10.7270/Q2R49STH
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM242040
PNG
(US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piper...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C21H22Cl2F2N2O2/c1-29-15-7-5-14(6-8-15)18(27-11-9-21(24,25)10-12-27)13-26-20(28)16-3-2-4-17(22)19(16)23/h2-8,18H,9-13H2,1H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/a7.437



H. Lundbeck A/S

US Patent


Assay Description
Briefly, 293-human or mouse P2X7 stable cells were incubated in sucrose buffer, pH 7.4 [KCl (5 mM), NaH2PO42H2O (9.6 mM), HEPES (25 mM), sucrose (280...


US Patent US9415055 (2016)


BindingDB Entry DOI: 10.7270/Q2NC604C
More data for this
Ligand-Target Pair