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BDBM173687 US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propyl]benzamide::US9102591, (-)2,3-dichloro-N-[2-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propyl]benzamide::US9102591, 2,3-dichloro-N-[2-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propyl]benzamide::US9649308, (+)2,3-dichloro-N-[2-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propyl]benzamide

SMILES: Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F

InChI Key: InChIKey=SVXAGFVIOFXJNP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 173687   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
PDB

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US Patent
n/an/a 7.10n/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))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
PDB

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US Patent
n/an/a 64n/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))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
PDB

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US Patent
n/an/a 1.5n/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))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
PDB

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US Patent
n/an/a 7.10n/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))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
PDB

Reactome pathway
KEGG

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antibodypedia
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PC sid
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US Patent
n/an/a 64n/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))
BDBM173687
PNG
(US9102591, (+)2,3-dichloro-N-[2-(2-methylpyrimidin...)
Show SMILES Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)CC1(CC1)C(F)(F)F
Show InChI InChI=1S/C19H18Cl2F3N3O/c1-11-25-9-13(10-26-11)12(7-18(5-6-18)19(22,23)24)8-27-17(28)14-3-2-4-15(20)16(14)21/h2-4,9-10,12H,5-8H2,1H3,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
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US Patent
n/an/a 1.5n/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