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BDBM173848 US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]propyl]benzamide::US9102591, (-)2,3-dichloro-N-[3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]propyl]benzamide::US9649308, (-)2,3-dichloro-N-[3-cyclopropyl-2-[2-(difluoromethyl)pyrimidin-5-yl]propyl]benzamide

SMILES: FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1

InChI Key: InChIKey=UJBRWGBNEXTWRG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 173848   
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))
BDBM173848
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H17Cl2F2N3O/c19-14-3-1-2-13(15(14)20)18(26)25-7-11(6-10-4-5-10)12-8-23-17(16(21)22)24-9-12/h1-3,8-11,16H,4-7H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 23n/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
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173848
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H17Cl2F2N3O/c19-14-3-1-2-13(15(14)20)18(26)25-7-11(6-10-4-5-10)12-8-23-17(16(21)22)24-9-12/h1-3,8-11,16H,4-7H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/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)


BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173848
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H17Cl2F2N3O/c19-14-3-1-2-13(15(14)20)18(26)25-7-11(6-10-4-5-10)12-8-23-17(16(21)22)24-9-12/h1-3,8-11,16H,4-7H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 23n/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)


BindingDB Entry DOI: 10.7270/Q2BG2R29
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173848
PNG
(US9102591, (+)2,3-dichloro-N-[3-cyclopropyl-2-[2-(...)
Show SMILES FC(F)c1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1CC1
Show InChI InChI=1S/C18H17Cl2F2N3O/c19-14-3-1-2-13(15(14)20)18(26)25-7-11(6-10-4-5-10)12-8-23-17(16(21)22)24-9-12/h1-3,8-11,16H,4-7H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.90n/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