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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5'-nucleotidase' and Ligand = 'BDBM222263'   
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
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM222263
PNG
((Z)-4-(2-((E)-1-morpholino-2-oxo-4-(3,4,5-Trimetho...)
Show SMILES COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N4O7S/c1-31-20-14-16(15-21(32-2)22(20)33-3)4-9-19(28)23(27-10-12-34-13-11-27)26-25-17-5-7-18(8-6-17)35(24,29)30/h4-9,14-15,25H,10-13H2,1-3H3,(H2,24,29,30)/b9-4+,26-23-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 680n/an/an/an/a7.437



COMSATS Institute of Information Technology



Assay Description
The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...


Bioorg Chem 70: 229-236 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.003
BindingDB Entry DOI: 10.7270/Q2K07334
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM222263
PNG
((Z)-4-(2-((E)-1-morpholino-2-oxo-4-(3,4,5-Trimetho...)
Show SMILES COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N4O7S/c1-31-20-14-16(15-21(32-2)22(20)33-3)4-9-19(28)23(27-10-12-34-13-11-27)26-25-17-5-7-18(8-6-17)35(24,29)30/h4-9,14-15,25H,10-13H2,1-3H3,(H2,24,29,30)/b9-4+,26-23-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+3n/an/an/an/a7.437



COMSATS Institute of Information Technology



Assay Description
The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...


Bioorg Chem 70: 229-236 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.003
BindingDB Entry DOI: 10.7270/Q2K07334
More data for this
Ligand-Target Pair