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BDBM242020 US9415055, N-[2-(4-Chloro-phenyl)-2-(4,4-difluoro-piperidin-1-yl)-ethyl]-2,3-dimethyl-benzamide::US9593105, 21

SMILES: Cc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2ccc(Cl)cc2)c1C

InChI Key: InChIKey=JTQVHGRELGUEGF-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 = 242020   
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))
BDBM242020
PNG
(US9415055, N-[2-(4-Chloro-phenyl)-2-(4,4-difluoro-...)
Show SMILES Cc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2ccc(Cl)cc2)c1C
Show InChI InChI=1S/C22H25ClF2N2O/c1-15-4-3-5-19(16(15)2)21(28)26-14-20(17-6-8-18(23)9-7-17)27-12-10-22(24,25)11-13-27/h3-9,20H,10-14H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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))
BDBM242020
PNG
(US9415055, N-[2-(4-Chloro-phenyl)-2-(4,4-difluoro-...)
Show SMILES Cc1cccc(C(=O)NCC(N2CCC(F)(F)CC2)c2ccc(Cl)cc2)c1C
Show InChI InChI=1S/C22H25ClF2N2O/c1-15-4-3-5-19(16(15)2)21(28)26-14-20(17-6-8-18(23)9-7-17)27-12-10-22(24,25)11-13-27/h3-9,20H,10-14H2,1-2H3,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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