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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM322021'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM322021
PNG
((R,E)-3-(2-((5-Methyl-2H-tetrazol-2-yl)methyl)-4-(...)
Show SMILES C[C@@H]1CCCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O/c1-12-4-3-9-25(12)17(27)8-6-14-5-7-16(18(19,20)21)10-15(14)11-26-23-13(2)22-24-26/h5-8,10,12H,3-4,9,11H2,1-2H3/b8-6+/t12-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 263n/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