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BDBM322016 US10183025, Example 115::US10183025, Example 115a::US10183025, Example 115b::US9763957, Example 115b::rac-(E)-1-(3-Fluoropiperidin-1-yl)-3-(2-((5-methyl-2H-tetrazol-2-yl)methyl)-4-(trifluoromethyl)phenyl)prop-2-en-1-one

SMILES: Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1

InChI Key: InChIKey=PNXIVNVXQLXRHT-FNORWQNLSA-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 = 322016   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322016
PNG
(US10183025, Example 115 | US10183025, Example 115a...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1
Show InChI InChI=1S/C18H19F4N5O/c1-12-23-25-27(24-12)10-14-9-15(18(20,21)22)6-4-13(14)5-7-17(28)26-8-2-3-16(19)11-26/h4-7,9,16H,2-3,8,10-11H2,1H3/b7-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...


US Patent US10183025 (2019)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322016
PNG
(US10183025, Example 115 | US10183025, Example 115a...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1
Show InChI InChI=1S/C18H19F4N5O/c1-12-23-25-27(24-12)10-14-9-15(18(20,21)22)6-4-13(14)5-7-17(28)26-8-2-3-16(19)11-26/h4-7,9,16H,2-3,8,10-11H2,1H3/b7-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...


US Patent US10183025 (2019)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322016
PNG
(US10183025, Example 115 | US10183025, Example 115a...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1
Show InChI InChI=1S/C18H19F4N5O/c1-12-23-25-27(24-12)10-14-9-15(18(20,21)22)6-4-13(14)5-7-17(28)26-8-2-3-16(19)11-26/h4-7,9,16H,2-3,8,10-11H2,1H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322016
PNG
(US10183025, Example 115 | US10183025, Example 115a...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1
Show InChI InChI=1S/C18H19F4N5O/c1-12-23-25-27(24-12)10-14-9-15(18(20,21)22)6-4-13(14)5-7-17(28)26-8-2-3-16(19)11-26/h4-7,9,16H,2-3,8,10-11H2,1H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM322016
PNG
(US10183025, Example 115 | US10183025, Example 115a...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1
Show InChI InChI=1S/C18H19F4N5O/c1-12-23-25-27(24-12)10-14-9-15(18(20,21)22)6-4-13(14)5-7-17(28)26-8-2-3-16(19)11-26/h4-7,9,16H,2-3,8,10-11H2,1H3/b7-5+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Method All experimental measurements were performed in black 384 well polystyrene (low volume, round bottom, Corning (3676)) plates. PerkinElmer EnVi...


US Patent US9763957 (2017)

More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM322016
PNG
(US10183025, Example 115 | US10183025, Example 115a...)
Show SMILES Cc1nnn(Cc2cc(ccc2\C=C\C(=O)N2CCCC(F)C2)C(F)(F)F)n1
Show InChI InChI=1S/C18H19F4N5O/c1-12-23-25-27(24-12)10-14-9-15(18(20,21)22)6-4-13(14)5-7-17(28)26-8-2-3-16(19)11-26/h4-7,9,16H,2-3,8,10-11H2,1H3/b7-5+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Reagents LPC (oleoyl (18:1)) was purchased from Avanti Polar Lipids (Alabaster, Ala.) and solubilized in methanol to 20 mM. Amplex Red was obtained f...


US Patent US10183025 (2019)

More data for this
Ligand-Target Pair