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BDBM242041 US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piperidyl)-2-(6-fluoro-3-pyridyl)ethyl]benzamide::US9593105, 42

SMILES: Fc1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1

InChI Key: InChIKey=LETSAXPNSDVBPD-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 = 242041   
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))
BDBM242041
PNG
(US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piper...)
Show SMILES Fc1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H18Cl2F3N3O/c20-14-3-1-2-13(17(14)21)18(28)26-11-15(12-4-5-16(22)25-10-12)27-8-6-19(23,24)7-9-27/h1-5,10,15H,6-9,11H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.890n/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))
BDBM242041
PNG
(US9415055, 2,3-dichloro-N-[2-(4,4-difluoro-1-piper...)
Show SMILES Fc1ccc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CCC(F)(F)CC1
Show InChI InChI=1S/C19H18Cl2F3N3O/c20-14-3-1-2-13(17(14)21)18(28)26-11-15(12-4-5-16(22)25-10-12)27-8-6-19(23,24)7-9-27/h1-5,10,15H,6-9,11H2,(H,26,28)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.890n/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