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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ectonucleotide pyrophosphatase/phosphodiesterase family member 2' and Ligand = 'BDBM489355'   
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))
BDBM489355
PNG
(Example 10-12 | US10961242, Compound 72 | US115488...)
Show SMILES OC(=O)c1ccc(COc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)cc1
Show InChI InChI=1S/C31H29N9O4/c41-28(39-10-9-26-27(16-39)36-38-35-26)17-40-15-25(29(37-40)44-18-19-5-7-20(8-6-19)30(42)43)23-13-32-31(33-14-23)34-24-11-21-3-1-2-4-22(21)12-24/h1-8,13-15,24H,9-12,16-18H2,(H,42,43)(H,32,33,34)(H,35,36,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2F76HDX
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM489355
PNG
(Example 10-12 | US10961242, Compound 72 | US115488...)
Show SMILES OC(=O)c1ccc(COc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)cc1
Show InChI InChI=1S/C31H29N9O4/c41-28(39-10-9-26-27(16-39)36-38-35-26)17-40-15-25(29(37-40)44-18-19-5-7-20(8-6-19)30(42)43)23-13-32-31(33-14-23)34-24-11-21-3-1-2-4-22(21)12-24/h1-8,13-15,24H,9-12,16-18H2,(H,42,43)(H,32,33,34)(H,35,36,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/an/an/an/an/an/a



LegoChem Biosciences, Inc.

US Patent


Assay Description
Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...


US Patent US10961242 (2021)


BindingDB Entry DOI: 10.7270/Q27084JN
More data for this
Ligand-Target Pair