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BDBM242109 US9415055, 2,3-dichloro-N-(2-(2-methylpyrimidin-5-yl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethyl)benzamide::US9593105, 110

SMILES: Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CC(F)(F)C(F)(F)C1

InChI Key: InChIKey=GIZNNAFXEWWKND-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 = 242109   
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))
BDBM242109
PNG
(US9415055, 2,3-dichloro-N-(2-(2-methylpyrimidin-5-...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C18H16Cl2F4N4O/c1-10-25-5-11(6-26-10)14(28-8-17(21,22)18(23,24)9-28)7-27-16(29)12-3-2-4-13(19)15(12)20/h2-6,14H,7-9H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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))
BDBM242109
PNG
(US9415055, 2,3-dichloro-N-(2-(2-methylpyrimidin-5-...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)N1CC(F)(F)C(F)(F)C1
Show InChI InChI=1S/C18H16Cl2F4N4O/c1-10-25-5-11(6-26-10)14(28-8-17(21,22)18(23,24)9-28)7-27-16(29)12-3-2-4-13(19)15(12)20/h2-6,14H,7-9H2,1H3,(H,27,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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