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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 = 'BDBM321940'   
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))
BDBM321940
PNG
( (E)-3-(4-chloro-2-((5-methyl-2H-tetrazol-2-yl)met...)
Show SMILES C[C@H]1C[C@@H](O)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C18H22ClN5O2/c1-12-9-17(25)7-8-23(12)18(26)6-4-14-3-5-16(19)10-15(14)11-24-21-13(2)20-22-24/h3-6,10,12,17,25H,7-9,11H2,1-2H3/b6-4+/t12-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 79n/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