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BDBM50165129 CHEMBL3799469

SMILES: COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O

InChI Key: InChIKey=VGOFKXDIEPLVHO-ZRDIBKRKSA-N

Data: 4 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50165129   
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


(Homo sapiens (Human))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
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91n/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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
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114n/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
Intestinal alkaline phosphatase


(Bos taurus (Cattle))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
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3.34E+3n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...


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
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
UniProtKB/SwissProt

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Article
PubMed
3.05E+5n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...


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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
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n/an/a 2.39E+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
Tissue non-specific alkaline phosphatase (TNAP)


(Bos taurus (Cattle))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.15E+5n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine tissue non-specific alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 ...


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
Intestinal alkaline phosphatase


(Bos taurus (Cattle))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.81E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of calf intestinal alkaline phosphatase preincubated for 3 to 5 mins followed by CDP-star substrate addition measured after 15 mins by lum...


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))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
PDB

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n/an/a 1.91E+3n/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