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BDBM50165133 CHEMBL3798620

SMILES: COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=HXGKLYGSHKDZBI-MDWZMJQESA-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 = 50165133   
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)


(Homo sapiens (Human))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

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UniChem

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Article
PubMed
138n/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))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

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UniChem

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Article
PubMed
472n/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))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

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PubMed
1.38E+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))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

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Article
PubMed
6.19E+3n/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))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.01E+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)


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))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.62E+4n/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))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.25E+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
Ecto-5'-nucleotidase (e5'NT)


(Homo sapiens (Human))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.92E+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