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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 = 'BDBM489387'   
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))
BDBM489387
PNG
(Example 13 | US10961242, Compound 94 | US11548883,...)
Show SMILES CCc1nn(CC(=O)N2CCN(CC2)C(=O)CO)cc1-c1cnc(NC2Cc3ccccc3C2)nc1
Show InChI InChI=1S/C26H31N7O3/c1-2-23-22(15-33(30-23)16-24(35)31-7-9-32(10-8-31)25(36)17-34)20-13-27-26(28-14-20)29-21-11-18-5-3-4-6-19(18)12-21/h3-6,13-15,21,34H,2,7-12,16-17H2,1H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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))
BDBM489387
PNG
(Example 13 | US10961242, Compound 94 | US11548883,...)
Show SMILES CCc1nn(CC(=O)N2CCN(CC2)C(=O)CO)cc1-c1cnc(NC2Cc3ccccc3C2)nc1
Show InChI InChI=1S/C26H31N7O3/c1-2-23-22(15-33(30-23)16-24(35)31-7-9-32(10-8-31)25(36)17-34)20-13-27-26(28-14-20)29-21-11-18-5-3-4-6-19(18)12-21/h3-6,13-15,21,34H,2,7-12,16-17H2,1H3,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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