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BDBM50395084 CHEMBL2164286

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1

InChI Key: InChIKey=DDKYYGONUSXOMP-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50395084   
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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395084
PNG
(CHEMBL2164286)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1
Show InChI InChI=1S/C16H11ClN2O5S/c17-10-1-6-14-9(7-10)8-13(16(21)24-14)15(20)19-11-2-4-12(5-3-11)25(18,22)23/h1-8H,(H,19,20)(H2,18,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.58E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


J Med Chem 55: 6576-81 (2012)


Article DOI: 10.1021/jm300658n
BindingDB Entry DOI: 10.7270/Q2DR2WNZ
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395084
PNG
(CHEMBL2164286)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1
Show InChI InChI=1S/C16H11ClN2O5S/c17-10-1-6-14-9(7-10)8-13(16(21)24-14)15(20)19-11-2-4-12(5-3-11)25(18,22)23/h1-8H,(H,19,20)(H2,18,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


J Med Chem 55: 6576-81 (2012)


Article DOI: 10.1021/jm300658n
BindingDB Entry DOI: 10.7270/Q2DR2WNZ
More data for this
Ligand-Target Pair