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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.2
BDBM50437935

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Intestinal-type alkaline phosphatase


(Bos taurus (Cattle))
BDBM50437935
PNG
(CHEMBL2408701)
Show SMILES Brc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1
Show InChI InChI=1S/C16H11BrN2O4S/c17-9-5-6-13-10(7-9)15(20)11(8-23-13)16-18-12-3-1-2-4-14(12)24(21,22)19-16/h1-8,16,18-19H
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins by spe...


Eur J Med Chem 66: 438-49 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.015
BindingDB Entry DOI: 10.7270/Q20K29ZH
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Bos taurus (Cattle))
BDBM50437935
PNG
(CHEMBL2408701)
Show SMILES Brc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1
Show InChI InChI=1S/C16H11BrN2O4S/c17-9-5-6-13-10(7-9)15(20)11(8-23-13)16-18-12-3-1-2-4-14(12)24(21,22)19-16/h1-8,16,18-19H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins...


Eur J Med Chem 66: 438-49 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.015
BindingDB Entry DOI: 10.7270/Q20K29ZH
More data for this
Ligand-Target Pair