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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 = 'BDBM489384'   
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))
BDBM489384
PNG
(Example 12-12 | US10961242, Compound 91 | US115488...)
Show SMILES CCN1CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1
Show InChI InChI=1S/C30H37N11O/c1-2-38-9-11-39(12-10-38)18-27-25(17-41(36-27)20-29(42)40-8-7-26-28(19-40)35-37-34-26)23-15-31-30(32-16-23)33-24-13-21-5-3-4-6-22(21)14-24/h3-6,15-17,24H,2,7-14,18-20H2,1H3,(H,31,32,33)(H,34,35,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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))
BDBM489384
PNG
(Example 12-12 | US10961242, Compound 91 | US115488...)
Show SMILES CCN1CCN(Cc2nn(CC(=O)N3CCc4[nH]nnc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1
Show InChI InChI=1S/C30H37N11O/c1-2-38-9-11-39(12-10-38)18-27-25(17-41(36-27)20-29(42)40-8-7-26-28(19-40)35-37-34-26)23-15-31-30(32-16-23)33-24-13-21-5-3-4-6-22(21)14-24/h3-6,15-17,24H,2,7-14,18-20H2,1H3,(H,31,32,33)(H,34,35,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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