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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5'-nucleotidase' and Ligand = 'BDBM50165147'   
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


(Homo sapiens (Human))
BDBM50165147
PNG
(CHEMBL3797302)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
18n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human 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))
BDBM50165147
PNG
(CHEMBL3797302)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
134n/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


(Homo sapiens (Human))
BDBM50165147
PNG
(CHEMBL3797302)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human 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))
BDBM50165147
PNG
(CHEMBL3797302)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.81E+3n/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