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SMILES: CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1

InChI Key: InChIKey=PPMZPBIRIUZHLT-XDJHFCHBSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50165125   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50165125
PNG
(CHEMBL3797206)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C23H21N3O5S/c1-2-30-23-19(22(27)18-7-3-4-8-20(18)31-23)15-25-16-10-12-17(13-11-16)32(28,29)26-21-9-5-6-14-24-21/h3-15,23,25H,2H2,1H3,(H,24,26)/b19-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
712n/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)


BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
BDBM50165125
PNG
(CHEMBL3797206)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1S/C23H21N3O5S/c1-2-30-23-19(22(27)18-7-3-4-8-20(18)31-23)15-25-16-10-12-17(13-11-16)32(28,29)26-21-9-5-6-14-24-21/h3-15,23,25H,2H2,1H3,(H,24,26)/b19-15+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.52E+4n/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)


BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair