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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5'-nucleotidase' and Ligand = 'BDBM50437941'   
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))
BDBM50437941
PNG
(CHEMBL1814397)
Show SMILES CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:15.17|
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-15(17(22)14-8-11(19)6-7-16(14)26-18)10-21-12-4-3-5-13(9-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
47n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.073
BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50437941
PNG
(CHEMBL1814397)
Show SMILES CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O |w:15.17|
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-15(17(22)14-8-11(19)6-7-16(14)26-18)10-21-12-4-3-5-13(9-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.073
BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair